4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine

C16H10BrClN2 — CID 2057568

IUPAC4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H10BrClN2/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-10H
InChIKeyYDKHHVFBYYSKTM-UHFFFAOYSA-N
MW345.63 g/mol
LogP5.23
Rot. Bonds2

About 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine

4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine (PubChem CID 2057568) has the molecular formula C16H10BrClN2 and a molecular weight of 345.63 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine
PubChem CID2057568
Molecular FormulaC16H10BrClN2
Molecular Weight345.63 g/mol
Exact Mass343.97
IUPAC Name4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C16H10BrClN2/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-10H
InChIKeyYDKHHVFBYYSKTM-UHFFFAOYSA-N
XLogP5.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.63
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
5-(4-Bromophenyl)-6-ethylpyrimidine-2,4-diamine
CID 134626
4-Bromo-2,6-diphenylpyrimidine
CID 817533
BW 50-322
CID 134623
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 5722265
4-Amino-2,6-diphenylpyrimidine
CID 619020
4,5-Dibromo-2,6-diphenylpyrimidine
CID 1023869
4-(3-Chlorophenyl)-6-phenylpyrimidin-2-amine
CID 12293990
2-(7-Bromo-4-methylquinazolin-2-yl)guanidine
CID 9878798
(2-Bromo-4-isopropyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-methyl-amine
CID 10616689
(2-Bromo-4-ethyl-phenyl)-(4,6-dimethyl-pyrimidin-2-yl)-methyl-amine
CID 10663467

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine?
The IUPAC name of 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine (CID 2057568) is 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine.
What is the SMILES notation for 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine?
The canonical SMILES for 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine is Clc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine?
The InChIKey is YDKHHVFBYYSKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2/c17-13-8-6-12(7-9-13)15-10-14(19-16(18)20-15)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine?
4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine has a molecular weight of 345.63 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-chloro-6-phenylpyrimidine is sourced from PubChem (CID 2057568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).