4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine

C17H14ClN3 — CID 14281144

IUPAC4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine
SMILESCc1cc(Cl)nc(-c2ccc(C)c(-c3ccccc3)n2)n1
InChIInChI=1S/C17H14ClN3/c1-11-8-9-14(17-19-12(2)10-15(18)21-17)20-16(11)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyRBNRTUQCWKDWDE-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.48
Rot. Bonds2

About 4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine

4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine (PubChem CID 14281144) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine
PubChem CID14281144
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine
SMILESCc1cc(Cl)nc(-c2ccc(C)c(-c3ccccc3)n2)n1
InChIInChI=1S/C17H14ClN3/c1-11-8-9-14(17-19-12(2)10-15(18)21-17)20-16(11)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyRBNRTUQCWKDWDE-UHFFFAOYSA-N
XLogP4.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.48
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-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine (CID 14281144) is 4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine is Cc1cc(Cl)nc(-c2ccc(C)c(-c3ccccc3)n2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine?
The InChIKey is RBNRTUQCWKDWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-11-8-9-14(17-19-12(2)10-15(18)21-17)20-16(11)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine?
4-chloro-6-methyl-2-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine has a molecular weight of 295.77 g/mol, XLogP of 4.48, 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-(5-methyl-6-phenyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 14281144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).