methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate

C14H13ClN2O3 — CID 39401121

IUPACmethyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(C)c2)nc(Cl)n1
InChIInChI=1S/C14H13ClN2O3/c1-8-6-9(4-5-12(8)19-2)10-7-11(13(18)20-3)17-14(15)16-10/h4-7H,1-3H3
InChIKeyLZCYAQHLYAVLPS-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.90
Rot. Bonds3

About methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate

methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate (PubChem CID 39401121) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate
PubChem CID39401121
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Namemethyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(C)c2)nc(Cl)n1
InChIInChI=1S/C14H13ClN2O3/c1-8-6-9(4-5-12(8)19-2)10-7-11(13(18)20-3)17-14(15)16-10/h4-7H,1-3H3
InChIKeyLZCYAQHLYAVLPS-UHFFFAOYSA-N
XLogP2.90
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate (CID 39401121) is methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate is COC(=O)c1cc(-c2ccc(OC)c(C)c2)nc(Cl)n1.
What is the InChIKey of methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate?
The InChIKey is LZCYAQHLYAVLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8-6-9(4-5-12(8)19-2)10-7-11(13(18)20-3)17-14(15)16-10/h4-7H,1-3H3.
What are the key properties of methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate?
methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate has a molecular weight of 292.72 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-6-(4-methoxy-3-methylphenyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 39401121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).