5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine

C16H9BrCl2N2 — CID 79435454

IUPAC5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)nc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C16H9BrCl2N2/c17-12-9-5-4-8-11(12)13-14(18)20-16(21-15(13)19)10-6-2-1-3-7-10/h1-9H
InChIKeyNXMQPOUICFYYTD-UHFFFAOYSA-N
MW380.07 g/mol
LogP5.88
Rot. Bonds2

About 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine

5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine (PubChem CID 79435454) has the molecular formula C16H9BrCl2N2 and a molecular weight of 380.07 g/mol. Its IUPAC name is 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine.

Molecular Properties

Compound Name5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
PubChem CID79435454
Molecular FormulaC16H9BrCl2N2
Molecular Weight380.07 g/mol
Exact Mass377.93
IUPAC Name5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
SMILESClc1nc(-c2ccccc2)nc(Cl)c1-c1ccccc1Br
InChIInChI=1S/C16H9BrCl2N2/c17-12-9-5-4-8-11(12)13-14(18)20-16(21-15(13)19)10-6-2-1-3-7-10/h1-9H
InChIKeyNXMQPOUICFYYTD-UHFFFAOYSA-N
XLogP5.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.07
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine
CID 79438940
2-(2-bromophenyl)-4-(4-chlorophenyl)-6-phenyl-1,3,5-triazine
CID 163296684
2-(2-bromophenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155151393
5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine
CID 79434225
2-(2-bromophenyl)-4-chloro-5-iodo-6-phenylpyrimidine
CID 66292715
1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine
CID 79439579
5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine
CID 79438939
5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine
CID 79435670
5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
CID 106815034
4,6-dichloro-2-(4,5-dibromofuran-2-yl)-5-phenylpyrimidine
CID 65430083
2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 147440229
2-(4-bromonaphthalen-1-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 168801574

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine?
The IUPAC name of 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine (CID 79435454) is 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine.
What is the SMILES notation for 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine?
The canonical SMILES for 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine is Clc1nc(-c2ccccc2)nc(Cl)c1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine?
The InChIKey is NXMQPOUICFYYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrCl2N2/c17-12-9-5-4-8-11(12)13-14(18)20-16(21-15(13)19)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine?
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine has a molecular weight of 380.07 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine is sourced from PubChem (CID 79435454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).