4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine

C16H12ClN3 — CID 14281141

IUPAC4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine
SMILESCc1cc(Cl)nc(-c2cccc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H12ClN3/c1-11-10-15(17)20-16(18-11)14-9-5-8-13(19-14)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyUFRCSHZGFYCFJT-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.17
Rot. Bonds2

About 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine

4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine (PubChem CID 14281141) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine
PubChem CID14281141
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine
SMILESCc1cc(Cl)nc(-c2cccc(-c3ccccc3)n2)n1
InChIInChI=1S/C16H12ClN3/c1-11-10-15(17)20-16(18-11)14-9-5-8-13(19-14)12-6-3-2-4-7-12/h2-10H,1H3
InChIKeyUFRCSHZGFYCFJT-UHFFFAOYSA-N
XLogP4.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine (CID 14281141) is 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine is Cc1cc(Cl)nc(-c2cccc(-c3ccccc3)n2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine?
The InChIKey is UFRCSHZGFYCFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c1-11-10-15(17)20-16(18-11)14-9-5-8-13(19-14)12-6-3-2-4-7-12/h2-10H,1H3.
What are the key properties of 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine?
4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine has a molecular weight of 281.75 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(6-phenyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 14281141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).