2-chloro-4-(2-phenoxyphenyl)pyrimidine

C16H11ClN2O — CID 24901901

IUPAC2-chloro-4-(2-phenoxyphenyl)pyrimidine
SMILESClc1nccc(-c2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C16H11ClN2O/c17-16-18-11-10-14(19-16)13-8-4-5-9-15(13)20-12-6-2-1-3-7-12/h1-11H
InChIKeyHXJCGCJTKVBEQC-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.59
Rot. Bonds3

About 2-chloro-4-(2-phenoxyphenyl)pyrimidine

2-chloro-4-(2-phenoxyphenyl)pyrimidine (PubChem CID 24901901) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-chloro-4-(2-phenoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-phenoxyphenyl)pyrimidine
PubChem CID24901901
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name2-chloro-4-(2-phenoxyphenyl)pyrimidine
SMILESClc1nccc(-c2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C16H11ClN2O/c17-16-18-11-10-14(19-16)13-8-4-5-9-15(13)20-12-6-2-1-3-7-12/h1-11H
InChIKeyHXJCGCJTKVBEQC-UHFFFAOYSA-N
XLogP4.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 24901904
6-(2-phenoxyphenyl)pyridin-3-amine
CID 68649369
2-chloro-4-(2,3-difluorophenyl)pyrimidine
CID 24901991
1-[2-(2-chloropyrimidin-4-yl)phenyl]ethanone
CID 24901838
6-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 166389025
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
2-(2-phenoxyphenyl)quinolin-4-amine
CID 175084364
2-chloro-4-(3-fluoro-2-methoxyphenyl)pyrimidine
CID 24901962
2-chloro-4-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidine
CID 118029072
2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine
CID 24901936
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-phenoxyphenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-phenoxyphenyl)pyrimidine (CID 24901901) is 2-chloro-4-(2-phenoxyphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-phenoxyphenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-phenoxyphenyl)pyrimidine is Clc1nccc(-c2ccccc2Oc2ccccc2)n1.
What is the InChIKey of 2-chloro-4-(2-phenoxyphenyl)pyrimidine?
The InChIKey is HXJCGCJTKVBEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-16-18-11-10-14(19-16)13-8-4-5-9-15(13)20-12-6-2-1-3-7-12/h1-11H.
What are the key properties of 2-chloro-4-(2-phenoxyphenyl)pyrimidine?
2-chloro-4-(2-phenoxyphenyl)pyrimidine has a molecular weight of 282.73 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-phenoxyphenyl)pyrimidine is sourced from PubChem (CID 24901901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).