2,5-bis(4-chlorophenyl)pyrimidine

C16H10Cl2N2 — CID 174829334

IUPAC2,5-bis(4-chlorophenyl)pyrimidine
SMILESClc1ccc(-c2cnc(-c3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C16H10Cl2N2/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H
InChIKeyUEZPELSVYPKGTM-UHFFFAOYSA-N
MW301.18 g/mol
LogP5.12
Rot. Bonds2

About 2,5-bis(4-chlorophenyl)pyrimidine

2,5-bis(4-chlorophenyl)pyrimidine (PubChem CID 174829334) has the molecular formula C16H10Cl2N2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2,5-bis(4-chlorophenyl)pyrimidine.

Molecular Properties

Compound Name2,5-bis(4-chlorophenyl)pyrimidine
PubChem CID174829334
Molecular FormulaC16H10Cl2N2
Molecular Weight301.18 g/mol
Exact Mass300.02
IUPAC Name2,5-bis(4-chlorophenyl)pyrimidine
SMILESClc1ccc(-c2cnc(-c3ccc(Cl)cc3)nc2)cc1
InChIInChI=1S/C16H10Cl2N2/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H
InChIKeyUEZPELSVYPKGTM-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.18
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)pyrimidin-5-ol
CID 59322178
2-(4-chlorophenyl)pyrimidin-5-amine
CID 609457
2,5-bis(4-bromophenyl)pyrimidine
CID 14089893
5-but-3-enyl-2-(4-chlorophenyl)pyrimidine
CID 19380445
5-(4-chlorophenyl)-2-methylsulfanylpyrimidine
CID 1483973
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
2-[[5-(4-chlorophenyl)pyrimidin-2-yl]amino]ethanethiol
CID 116975365
[5-(4-chlorophenyl)pyrimidin-2-yl]-pyrimidin-2-yldiazene
CID 86591912
5-chloro-2-pyridin-4-ylpyrimidine
CID 71723010
5-(4-methylphenyl)-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 21044112
6-chloro-2-(4-chlorophenyl)quinazoline
CID 57333326
2-(4-tert-butylphenyl)-5-chloropyrimidine
CID 90450772

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-chlorophenyl)pyrimidine?
The IUPAC name of 2,5-bis(4-chlorophenyl)pyrimidine (CID 174829334) is 2,5-bis(4-chlorophenyl)pyrimidine.
What is the SMILES notation for 2,5-bis(4-chlorophenyl)pyrimidine?
The canonical SMILES for 2,5-bis(4-chlorophenyl)pyrimidine is Clc1ccc(-c2cnc(-c3ccc(Cl)cc3)nc2)cc1.
What is the InChIKey of 2,5-bis(4-chlorophenyl)pyrimidine?
The InChIKey is UEZPELSVYPKGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2/c17-14-5-1-11(2-6-14)13-9-19-16(20-10-13)12-3-7-15(18)8-4-12/h1-10H.
What are the key properties of 2,5-bis(4-chlorophenyl)pyrimidine?
2,5-bis(4-chlorophenyl)pyrimidine has a molecular weight of 301.18 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-chlorophenyl)pyrimidine is sourced from PubChem (CID 174829334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).