2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine

C12H10ClFN2O — CID 141201930

IUPAC2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine
SMILESCOCc1ccnc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H10ClFN2O/c1-17-7-9-4-5-15-12(16-9)10-3-2-8(14)6-11(10)13/h2-6H,7H2,1H3
InChIKeyRCPBGAJRCSUNGM-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.08
Rot. Bonds3

About 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine

2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine (PubChem CID 141201930) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine
PubChem CID141201930
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine
SMILESCOCc1ccnc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C12H10ClFN2O/c1-17-7-9-4-5-15-12(16-9)10-3-2-8(14)6-11(10)13/h2-6H,7H2,1H3
InChIKeyRCPBGAJRCSUNGM-UHFFFAOYSA-N
XLogP3.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-4-fluorophenyl)-4-(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 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine (CID 141201930) is 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine is COCc1ccnc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine?
The InChIKey is RCPBGAJRCSUNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-17-7-9-4-5-15-12(16-9)10-3-2-8(14)6-11(10)13/h2-6H,7H2,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine?
2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine has a molecular weight of 252.68 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-4-(methoxymethyl)pyrimidine is sourced from PubChem (CID 141201930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).