4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine

C21H14ClFN4 — CID 118726575

IUPAC4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
SMILESCc1ncc(-c2ccnc(-c3cccnc3)c2)c(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C21H14ClFN4/c1-13-26-12-18(21(27-13)17-5-4-16(23)10-19(17)22)14-6-8-25-20(9-14)15-3-2-7-24-11-15/h2-12H,1H3
InChIKeyPHRJSZCMQUGFME-UHFFFAOYSA-N
MW376.82 g/mol
LogP5.37
Rot. Bonds3

About 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine

4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine (PubChem CID 118726575) has the molecular formula C21H14ClFN4 and a molecular weight of 376.82 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
PubChem CID118726575
Molecular FormulaC21H14ClFN4
Molecular Weight376.82 g/mol
Exact Mass376.09
IUPAC Name4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
SMILESCc1ncc(-c2ccnc(-c3cccnc3)c2)c(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C21H14ClFN4/c1-13-26-12-18(21(27-13)17-5-4-16(23)10-19(17)22)14-6-8-25-20(9-14)15-3-2-7-24-11-15/h2-12H,1H3
InChIKeyPHRJSZCMQUGFME-UHFFFAOYSA-N
XLogP5.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.82
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)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-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine (CID 118726575) is 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine is Cc1ncc(-c2ccnc(-c3cccnc3)c2)c(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine?
The InChIKey is PHRJSZCMQUGFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4/c1-13-26-12-18(21(27-13)17-5-4-16(23)10-19(17)22)14-6-8-25-20(9-14)15-3-2-7-24-11-15/h2-12H,1H3.
What are the key properties of 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine?
4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine has a molecular weight of 376.82 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine is sourced from PubChem (CID 118726575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).