4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine

C16H12ClN3 — CID 104845792

IUPAC4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
SMILESCc1c(Cl)nc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C16H12ClN3/c1-11-14(12-6-3-2-4-7-12)19-16(20-15(11)17)13-8-5-9-18-10-13/h2-10H,1H3
InChIKeyKWFGOHWCXJZWGZ-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.17
Rot. Bonds2

About 4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine

4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine (PubChem CID 104845792) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
PubChem CID104845792
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
SMILESCc1c(Cl)nc(-c2cccnc2)nc1-c1ccccc1
InChIInChI=1S/C16H12ClN3/c1-11-14(12-6-3-2-4-7-12)19-16(20-15(11)17)13-8-5-9-18-10-13/h2-10H,1H3
InChIKeyKWFGOHWCXJZWGZ-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-5-iodo-6-phenyl-2-pyridin-3-ylpyrimidine
CID 66294143
(5-methyl-6-phenyl-2-pyridin-3-ylpyrimidin-4-yl)hydrazine
CID 104847099
4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine
CID 104845832
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine
CID 104845868
2-(4-bromo-5-methylthiophen-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 102842775
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845875
4-chloro-6-(3-methylimidazol-4-yl)-2-pyridin-3-ylpyrimidine-5-carbonitrile
CID 135388053
2-methyl-4-(4-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261193
5-bromo-4-tert-butyl-6-chloro-2-pyridin-3-ylpyrimidine
CID 66292564

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine (CID 104845792) is 4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine is Cc1c(Cl)nc(-c2cccnc2)nc1-c1ccccc1.
What is the InChIKey of 4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine?
The InChIKey is KWFGOHWCXJZWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c1-11-14(12-6-3-2-4-7-12)19-16(20-15(11)17)13-8-5-9-18-10-13/h2-10H,1H3.
What are the key properties of 4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine?
4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine 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-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 104845792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).