4,6-Dimethoxy-5-nitropyrimidine

CAT: 0127-OR1068824Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1068824Size:1 g

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CAS Number

15846-14-7

MDL Number

MFCD00129731

Purity

97%

Smiles

O=[N+](C1=C(OC)N=CN=C1OC)[O-]

Chemical Information

4,6-Dimethoxy-5-nitropyrimidine

CAS Number	15846-14-7
PubChem CID	85139
IUPAC Name	4,6-dimethoxy-5-nitropyrimidine
Molecular Formula	C6H7N3O4
Molecular Weight	185.14
XLogP	0.6
Topological Polar Surface Area	90.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	171

SMILES

COC1=C(C(=NC=N1)OC)[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O4/c1-12-5-4(9(10)11)6(13-2)8-3-7-5/h3H,1-2H3

InChIKey

VPNSJECDVDBDTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15846-14-7

CID: 85139

Formula: C6H7N3O4

MW: 185.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.14
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	185.04365571
Monoisotopic Mass	185.04365571
Topological Polar Surface Area	90.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	171
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

Catalog	Name
OR96230-01	2,4-Dimethoxy-5-nitropyrimidine
OR200064-01	5-Nitropyrimidine-4,6-diamine
OR9521-01	4,6-Dichloro-5-nitropyrimidine
OR10855-01	5-Nitropyrimidine-4,6-diol
OR91488-01	4-Chloro-6-methoxy-5-nitropyrimidine
OR86611-01	4,6-Dichloro-2-cyclopropyl-5-nitropyrimidine
OR1021153	2,4-Dichloro-6- (methylsulfanyl) -5-nitropyrimidine
OR951178	4,6-Dimethoxy-5-methylpyrimidine
OR4656	2-Amino-5-nitropyrimidine-4,6-diol
OR1005821-01	4,6-Dichloro-2-methyl-5-nitropyrimidine

Catalog	Name
TRC-C368020-500MG	4-Chloro-2,6-dimethoxy-5-nitropyrimidine
270986-01	4,6-Dihydroxy-5-nitropyrimidine
TRC-D399200-1G	4,6-diisothiocyanato-5-nitropyrimidine
TRC-D435645-5G	4,6-Dichloro-5-nitropyrimidine
CAA71425-01	4,6-Difluoro-5-nitropyrimidine
abx185174-01	4,6-Diamino-5-nitropyrimidine
abx180232-01	2,4,6-Trichloro-5-nitropyrimidine
HAA15433-01	6-Methoxy-5-nitropyrimidine-4-thiol
abx185213-01	4-Chloro-6-Methoxy-5-Nitropyrimidine
D30140-01	4,6-Dihydroxy-5-nitropyrimidine 98%