4-chloro-5-phenoxy-2-phenylpyrimidine

C16H11ClN2O — CID 824762

IUPAC4-chloro-5-phenoxy-2-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)ncc1Oc1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-15-14(20-13-9-5-2-6-10-13)11-18-16(19-15)12-7-3-1-4-8-12/h1-11H
InChIKeyTVGDYVBKMNHVRM-UHFFFAOYSA-N
MW282.73 g/mol
LogP4.59
Rot. Bonds3

About 4-chloro-5-phenoxy-2-phenylpyrimidine

4-chloro-5-phenoxy-2-phenylpyrimidine (PubChem CID 824762) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-chloro-5-phenoxy-2-phenylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-phenoxy-2-phenylpyrimidine
PubChem CID824762
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name4-chloro-5-phenoxy-2-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)ncc1Oc1ccccc1
InChIInChI=1S/C16H11ClN2O/c17-15-14(20-13-9-5-2-6-10-13)11-18-16(19-15)12-7-3-1-4-8-12/h1-11H
InChIKeyTVGDYVBKMNHVRM-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

4-(4-Chloro-2-methylphenoxy)-5-methoxy-2-phenylpyrimidine
CID 1472566
6-Chloro-2-(4-chlorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704955
6-Chloro-2-(4-iodophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704961
6-Chloro-5-(2-methoxyphenoxy)-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 156704962
6-Chloro-5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine
CID 156704966
6-Chloro-2-(4-fluorophenyl)-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 156704967
2-Benzyl-6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 166626381
5-(4-Chlorophenyl)-2-phenoxypyrimidine
CID 1472449
5-Methoxy-4-(2-methylphenoxy)-2-phenylpyrimidine
CID 1472564
5-Methoxy-4-(3-methylphenoxy)-2-phenylpyrimidine
CID 1472565
2-(4-Butoxyphenyl)-5-chloropyrimidine
CID 2252177
4-Ethoxy-5-phenoxy-2-phenylpyrimidine
CID 824783

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-phenoxy-2-phenylpyrimidine?
The IUPAC name of 4-chloro-5-phenoxy-2-phenylpyrimidine (CID 824762) is 4-chloro-5-phenoxy-2-phenylpyrimidine.
What is the SMILES notation for 4-chloro-5-phenoxy-2-phenylpyrimidine?
The canonical SMILES for 4-chloro-5-phenoxy-2-phenylpyrimidine is Clc1nc(-c2ccccc2)ncc1Oc1ccccc1.
What is the InChIKey of 4-chloro-5-phenoxy-2-phenylpyrimidine?
The InChIKey is TVGDYVBKMNHVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-15-14(20-13-9-5-2-6-10-13)11-18-16(19-15)12-7-3-1-4-8-12/h1-11H.
What are the key properties of 4-chloro-5-phenoxy-2-phenylpyrimidine?
4-chloro-5-phenoxy-2-phenylpyrimidine 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 4-chloro-5-phenoxy-2-phenylpyrimidine is sourced from PubChem (CID 824762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).