Pyrimidine Impurity

CAT: 1596-AR-N01498-05Size: 150Dry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-N01498-05Size:150

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

80742-11-6

Synonyms

(2S,4S) -methyl 6-methyl-2,4-bis (2-nitrophenyl) -1,2,3,4-tetrahydropyrimidine-5-carboxylate; cis- (±) -1,2,3,4-Tetrahydro-6-methyl-2,4-bis (2-nitrophenyl) -5-pyrimidinecarboxylic acid methyl ester; cis-1,2,3,4-Tetrahydro-6-methyl-2,4-bis (2-nitrophenyl) -5-pyrimidinecarboxylic Acid Methyl Ester

Molecular Formula

C19H18N4O6

Molecular Weight

398.38

API Name

Nifedipine

Chemical Information

Methyl 6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate

CAS Number	80742-11-6
PubChem CID	5064358
IUPAC Name	methyl 6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Molecular Formula	C19H18N4O6
Molecular Weight	398.4
XLogP	2.8
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	685

SMILES

CC1=C(C(NC(N1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H18N4O6/c1-11-16(19(24)29-2)17(12-7-3-5-9-14(12)22(25)26)21-18(20-11)13-8-4-6-10-15(13)23(27)28/h3-10,17-18,20-21H,1-2H3

InChIKey

AANAYIQNTXWIMX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80742-11-6

CID: 5064358

Formula: C19H18N4O6

MW: 398.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	398.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	398.12263431
Monoisotopic Mass	398.12263431
Topological Polar Surface Area	142 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	685
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
AR-A01842-01	Ambrisentan pyrimidine Ester Impurity
AR-M03549-01	Macitentan Pyrimidine Amine Impurity
AR-A08107-01	Abemaciclib Desfluoro Pyrimidine Imidazole Impurity
AR-P33419-01	Pyrimidine
AR-B05684-01	N-Nitroso Buspirone impurity ; 2- (4-Nitrosopiperazin-1-yl) pyrimidine
AR-P33354-01	Pyridine Impurity 2
AR-P33362-01	Pyridine Impurity 7
AR-P33356-01	Pyridine Impurity 4
AR-P33367-01	Pyridine Impurity 12
AR-P33363-01	Pyridine Impurity 8

Alternative Products

Catalog	Name
RM-S040610-01	Sildenafil Pyrimidine Impurity
CS-T-65471	Linagliptin Nitroso Pyrimidine Impurity
CS-O-50176	Macitentan Pyrimidine N-Nitroso N-Propyl Impurity
006704-01	6-Chloro-pyrimidine-2,4-diamine 3-Oxide (Minoxidil EP Impurity A)
OR1039850-01	5- (3-Bromo-4,5-dimethoxybenzyl) pyrimidine-2,4-diamine (Trimethoprim Impurity)
OR1005024	6- ((2-Iminopyrrolidin-1-yl) methyl) pyrimidine-2,4 (1H,3H) -dione (Tipiracil Impurity)
OR1005011	5-Chloro-6- ((2-oxopyrrolidin-1-yl) methyl) pyrimidine-2,4 (1H,3H) -dione (Tipiracil Impurity)
OR1005454	(S) -1- ((R) -1-Acryloylpiperidin-3-yl) -4-amino-3- (4-phenoxyphenyl) -1H-pyrazolo[3,4-d]pyrimidine 1-oxide (Ibrutinib Impurity)
159837	2,2',2'',2'''-[[4-[ (2-Hydroxyethyl) amino]-8- (1-piperidinyl) pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo]tetrakisethanol (Dipyridamole Impurity)
TRC-P997330-1G	Pyrimidine

Pyrimidine Impurity

Chemical Information

Related Products

Alternative Products

Popular Products