5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine

C17H12Cl2N2 — CID 23504962

IUPAC5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine
SMILESClc1ccc(C(c2cncnc2)c2ccccc2Cl)cc1
InChIInChI=1S/C17H12Cl2N2/c18-14-7-5-12(6-8-14)17(13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,17H
InChIKeyYADNTCMCRQXRRP-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.96
Rot. Bonds3

About 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine

5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine (PubChem CID 23504962) has the molecular formula C17H12Cl2N2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine.

Molecular Properties

Compound Name5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine
PubChem CID23504962
Molecular FormulaC17H12Cl2N2
Molecular Weight315.20 g/mol
Exact Mass314.04
IUPAC Name5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine
SMILESClc1ccc(C(c2cncnc2)c2ccccc2Cl)cc1
InChIInChI=1S/C17H12Cl2N2/c18-14-7-5-12(6-8-14)17(13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,17H
InChIKeyYADNTCMCRQXRRP-UHFFFAOYSA-N
XLogP4.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Fenarimol
CID 43226
Pyrimidine, 5-(p-chlorophenyl)-2,4-diamino-
CID 204821
Triarimol
CID 33605
5-(4-Chlorophenyl)-4-pyrimidinamine
CID 2735804
9-Chloro-7-(2-chlorophenyl)-5H-pyrimido(5,4-d)(2)benzazepine
CID 131736
4-(2,4-Dichlorophenyl)-5-phenyldiazenyl-pyrimidin-2-amine
CID 3695754
2,5-Diphenylpyrimidine
CID 755305
5-[(4-Chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 14999837
5-(3-Chlorophenyl)-2,4-pyrimidinediamine
CID 23423601
N-(4-Chlorobenzyl)pyrimidin-2-amine
CID 4882447
2-[4-Chloro-trans-styryl]-4,6-dichloro-5-[4-chlorophenyl]pyrimidine
CID 5373789
LY 113174
CID 133969

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine?
The IUPAC name of 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine (CID 23504962) is 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine.
What is the SMILES notation for 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine?
The canonical SMILES for 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine is Clc1ccc(C(c2cncnc2)c2ccccc2Cl)cc1.
What is the InChIKey of 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine?
The InChIKey is YADNTCMCRQXRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2/c18-14-7-5-12(6-8-14)17(13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,17H.
What are the key properties of 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine?
5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine has a molecular weight of 315.20 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)-(4-chlorophenyl)methyl]pyrimidine is sourced from PubChem (CID 23504962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).