Ormetoprim

CAT: 0926-FO26584-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FO26584-01Size:5 g

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CAS Number

6981-18-6

Synonyms

2,4-Diamino-5- (6-methylveratryl) pyrimidine;2,4-Diamino-5- (2-methyl-4 ,5-dimethoxybenzyl) pyrimidine; Diamino-5- (6-methylveratryl) pyrimidine

MDL Number

MFCD00057747

Smiles

CC1=CC (=C (C=C1CC2=CN=C (N=C2N) N) OC) OC

Molecular Formula

C14H18N4O2

Molecular Weight

274.32 g/mol

Controlled

Chemical Information

Ormetoprim

5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine is a dimethoxybenzene.

CAS Number	6981-18-6
PubChem CID	23418
IUPAC Name	5-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrimidine-2,4-diamine
Molecular Formula	C14H18N4O2
Molecular Weight	274.32
XLogP	1.2
Topological Polar Surface Area	96.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	305

SMILES

CC1=CC(=C(C=C1CC2=CN=C(N=C2N)N)OC)OC

InChI

InChI=1S/C14H18N4O2/c1-8-4-11(19-2)12(20-3)6-9(8)5-10-7-17-14(16)18-13(10)15/h4,6-7H,5H2,1-3H3,(H4,15,16,17,18)

InChIKey

KEEYRKYKLYARHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6981-18-6

CID: 23418

Formula: C14H18N4O2

MW: 274.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	274.32
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	274.14297583
Monoisotopic Mass	274.14297583
Topological Polar Surface Area	96.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	305
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes