4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine

C16H12ClN3 — CID 115915028

IUPAC4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine
SMILESCc1cncc(-c2cc(Cl)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H12ClN3/c1-11-7-13(10-18-9-11)14-8-15(17)20-16(19-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyHKVINEIWPQUUSE-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.17
Rot. Bonds2

About 4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine

4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine (PubChem CID 115915028) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine
PubChem CID115915028
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine
SMILESCc1cncc(-c2cc(Cl)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C16H12ClN3/c1-11-7-13(10-18-9-11)14-8-15(17)20-16(19-14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyHKVINEIWPQUUSE-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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Related Compounds

4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine
CID 113297358
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999
4-chloro-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632020
2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine
CID 139269948
4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
CID 115915027
4-chloro-6-phenanthren-9-yl-2-phenylpyrimidine
CID 118641062
4-chloro-2-(1-methylpyrazol-4-yl)-6-phenylpyrimidine
CID 43557664
4-chloro-6-phenyl-2-(2-phenylphenyl)pyrimidine
CID 146868776
ethane;4-(3-methylphenyl)-2,6-diphenylpyrimidine
CID 144569166

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine?
The IUPAC name of 4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine (CID 115915028) is 4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine is Cc1cncc(-c2cc(Cl)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine?
The InChIKey is HKVINEIWPQUUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c1-11-7-13(10-18-9-11)14-8-15(17)20-16(19-14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine?
4-chloro-6-(5-methyl-3-pyridinyl)-2-phenylpyrimidine 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-(5-methyl-3-pyridinyl)-2-phenylpyrimidine is sourced from PubChem (CID 115915028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).