4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine

C16H12ClN3 — CID 115915017

IUPAC4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine
SMILESClc1cc(Cc2ccncc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H12ClN3/c17-15-11-14(10-12-6-8-18-9-7-12)19-16(20-15)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyGDCYDNOHEYCRRC-UHFFFAOYSA-N
MW281.75 g/mol
LogP3.78
Rot. Bonds3

About 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine

4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine (PubChem CID 115915017) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine
PubChem CID115915017
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine
SMILESClc1cc(Cc2ccncc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H12ClN3/c17-15-11-14(10-12-6-8-18-9-7-12)19-16(20-15)13-4-2-1-3-5-13/h1-9,11H,10H2
InChIKeyGDCYDNOHEYCRRC-UHFFFAOYSA-N
XLogP3.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole
CID 112559720
2-(6-benzyl-2-pyridinyl)-4-chloro-6-phenylpyrimidine
CID 23188712
2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine
CID 57330080
4-chloro-6-(3-ethylphenyl)-2-phenylpyrimidine
CID 115915027
4-chloro-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158883215
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
4-chloro-6-(3,5-diphenylphenyl)-2-phenylpyrimidine
CID 118641046
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
6-chloro-N,N-diethyl-2-phenylpyrimidin-4-amine
CID 796090
4-chloro-6-(3,4-dichlorophenyl)-2-phenylpyrimidine
CID 115914999

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine?
The IUPAC name of 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine (CID 115915017) is 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine is Clc1cc(Cc2ccncc2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine?
The InChIKey is GDCYDNOHEYCRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-15-11-14(10-12-6-8-18-9-7-12)19-16(20-15)13-4-2-1-3-5-13/h1-9,11H,10H2.
What are the key properties of 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine?
4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine has a molecular weight of 281.75 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-6-(pyridin-4-ylmethyl)pyrimidine is sourced from PubChem (CID 115915017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).