2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine

C17H12BrClN2 — CID 104845834

IUPAC2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
SMILESCc1c(Cl)nc(-c2cccc(Br)c2)nc1-c1ccccc1
InChIInChI=1S/C17H12BrClN2/c1-11-15(12-6-3-2-4-7-12)20-17(21-16(11)19)13-8-5-9-14(18)10-13/h2-10H,1H3
InChIKeySEBBHEUVLSCZNJ-UHFFFAOYSA-N
MW359.65 g/mol
LogP5.53
Rot. Bonds2

About 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine

2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine (PubChem CID 104845834) has the molecular formula C17H12BrClN2 and a molecular weight of 359.65 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
PubChem CID104845834
Molecular FormulaC17H12BrClN2
Molecular Weight359.65 g/mol
Exact Mass357.99
IUPAC Name2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
SMILESCc1c(Cl)nc(-c2cccc(Br)c2)nc1-c1ccccc1
InChIInChI=1S/C17H12BrClN2/c1-11-15(12-6-3-2-4-7-12)20-17(21-16(11)19)13-8-5-9-14(18)10-13/h2-10H,1H3
InChIKeySEBBHEUVLSCZNJ-UHFFFAOYSA-N
XLogP5.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.65
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-5-methylthiophen-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 102842775
4-chloro-5-methyl-6-phenyl-2-pyridin-3-ylpyrimidine
CID 104845792
2-(5-bromofuran-2-yl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845875
4-chloro-5-methyl-2-(2-methylphenyl)-6-phenylpyrimidine
CID 104845832
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486
4-chloro-5-methyl-2-(5-methylfuran-2-yl)-6-phenylpyrimidine
CID 104845868
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
3-(4,6-dichloro-5-methylpyrimidin-2-yl)phenol
CID 63613324
3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine
CID 6403257

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine?
The IUPAC name of 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine (CID 104845834) is 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine.
What is the SMILES notation for 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine?
The canonical SMILES for 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine is Cc1c(Cl)nc(-c2cccc(Br)c2)nc1-c1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine?
The InChIKey is SEBBHEUVLSCZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2/c1-11-15(12-6-3-2-4-7-12)20-17(21-16(11)19)13-8-5-9-14(18)10-13/h2-10H,1H3.
What are the key properties of 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine?
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine has a molecular weight of 359.65 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine is sourced from PubChem (CID 104845834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).