2-chloro-5-phenoxy-4,6-diphenylpyrimidine

C22H15ClN2O — CID 13327262

IUPAC2-chloro-5-phenoxy-4,6-diphenylpyrimidine
SMILESClc1nc(-c2ccccc2)c(Oc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H15ClN2O/c23-22-24-19(16-10-4-1-5-11-16)21(26-18-14-8-3-9-15-18)20(25-22)17-12-6-2-7-13-17/h1-15H
InChIKeyWFBWWINKQMHXHA-UHFFFAOYSA-N
MW358.83 g/mol
LogP6.26
Rot. Bonds4

About 2-chloro-5-phenoxy-4,6-diphenylpyrimidine

2-chloro-5-phenoxy-4,6-diphenylpyrimidine (PubChem CID 13327262) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-chloro-5-phenoxy-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-phenoxy-4,6-diphenylpyrimidine
PubChem CID13327262
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name2-chloro-5-phenoxy-4,6-diphenylpyrimidine
SMILESClc1nc(-c2ccccc2)c(Oc2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C22H15ClN2O/c23-22-24-19(16-10-4-1-5-11-16)21(26-18-14-8-3-9-15-18)20(25-22)17-12-6-2-7-13-17/h1-15H
InChIKeyWFBWWINKQMHXHA-UHFFFAOYSA-N
XLogP6.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(4-nitrophenoxy)-4,6-diphenylpyrimidine
CID 2053817
2,6-dichloro-4,8-diphenylpyrimido[5,4-d]pyrimidine
CID 88869157
2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine
CID 58692908
2,4-dichloro-6-phenoxy-1,3,5-triazine;ethane
CID 91071262
3-bromo-4-phenoxy-2-phenylquinoline
CID 164676381
2-chloro-5-fluoro-6-phenylpyrimidin-4-amine
CID 129216031
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
4,5,10,11,16,17-hexakis(4-phenoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 86035796
2-fluoro-5-phenoxy-6-phenylpyrimidine-4-carboxamide
CID 71285455
2-chloro-4-(4-chlorophenyl)-7-phenylpyrido[2,3-d]pyrimidine
CID 146013470
2-chloro-5,6,7,8,9,10-hexadeuterio-4-phenylbenzo[h]quinazoline
CID 122524424
4-chloro-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
CID 80867587

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenoxy-4,6-diphenylpyrimidine?
The IUPAC name of 2-chloro-5-phenoxy-4,6-diphenylpyrimidine (CID 13327262) is 2-chloro-5-phenoxy-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-chloro-5-phenoxy-4,6-diphenylpyrimidine?
The canonical SMILES for 2-chloro-5-phenoxy-4,6-diphenylpyrimidine is Clc1nc(-c2ccccc2)c(Oc2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-5-phenoxy-4,6-diphenylpyrimidine?
The InChIKey is WFBWWINKQMHXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-22-24-19(16-10-4-1-5-11-16)21(26-18-14-8-3-9-15-18)20(25-22)17-12-6-2-7-13-17/h1-15H.
What are the key properties of 2-chloro-5-phenoxy-4,6-diphenylpyrimidine?
2-chloro-5-phenoxy-4,6-diphenylpyrimidine has a molecular weight of 358.83 g/mol, XLogP of 6.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenoxy-4,6-diphenylpyrimidine is sourced from PubChem (CID 13327262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).