4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine

C12H9ClF2N2O — CID 62319768

IUPAC4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H9ClF2N2O/c1-18-6-8-5-11(13)17-12(16-8)7-2-3-9(14)10(15)4-7/h2-5H,6H2,1H3
InChIKeyCMCBCLIHSUQWEE-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.22
Rot. Bonds3

About 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine

4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine (PubChem CID 62319768) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine
PubChem CID62319768
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H9ClF2N2O/c1-18-6-8-5-11(13)17-12(16-8)7-2-3-9(14)10(15)4-7/h2-5H,6H2,1H3
InChIKeyCMCBCLIHSUQWEE-UHFFFAOYSA-N
XLogP3.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine 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 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine (CID 62319768) is 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is CMCBCLIHSUQWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c1-18-6-8-5-11(13)17-12(16-8)7-2-3-9(14)10(15)4-7/h2-5H,6H2,1H3.
What are the key properties of 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine?
4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 270.67 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-difluorophenyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 62319768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).