methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate

C7H6Cl2N2O2 — CID 58937974

IUPACmethyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H6Cl2N2O2/c1-3-4(8)10-6(7(12)13-2)11-5(3)9/h1-2H3
InChIKeyRLAOCZAYGLMZLA-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.88
Rot. Bonds1

About methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate

methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate (PubChem CID 58937974) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
PubChem CID58937974
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC Namemethyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H6Cl2N2O2/c1-3-4(8)10-6(7(12)13-2)11-5(3)9/h1-2H3
InChIKeyRLAOCZAYGLMZLA-UHFFFAOYSA-N
XLogP1.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
CID 10445251
methyl 4-chloro-6-methyl-1,3,5-triazine-2-carboxylate
CID 118989948
methyl 4,6-dichloro-2,5-dimethylpyridine-3-carboxylate
CID 20703477
6-methoxycarbonyl-1,3,5-triazine-2,4-dicarboxylic acid
CID 68537450
methyl 4,6-dichloroquinazoline-2-carboxylate
CID 131622673
methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284945
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 2-chloro-4-(dimethylamino)-6-methylpyridine-3-carboxylate
CID 115036911
methyl 6-chloro-4-cyano-2,5-dimethylpyridine-3-carboxylate
CID 20703481
methyl 6-chloro-2-cyclopropyl-5-methylpyrimidine-4-carboxylate
CID 84690746
methyl 4,6-dichloro-5-(3-fluorophenyl)pyrimidine-2-carboxylate
CID 79440276

Frequently Asked Questions

What is the IUPAC name of methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate (CID 58937974) is methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate is COC(=O)c1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate?
The InChIKey is RLAOCZAYGLMZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-3-4(8)10-6(7(12)13-2)11-5(3)9/h1-2H3.
What are the key properties of methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate?
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate has a molecular weight of 221.04 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 58937974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).