1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine

C13H12BrCl2N3 — CID 79439579

IUPAC1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(Cl)c(-c2ccccc2Br)c(Cl)n1
InChIInChI=1S/C13H12BrCl2N3/c1-19(2)7-10-17-12(15)11(13(16)18-10)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3
InChIKeySYJOYYNQYQMMRD-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.27
Rot. Bonds3

About 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine

1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 79439579) has the molecular formula C13H12BrCl2N3 and a molecular weight of 361.07 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine
PubChem CID79439579
Molecular FormulaC13H12BrCl2N3
Molecular Weight361.07 g/mol
Exact Mass358.96
IUPAC Name1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(Cl)c(-c2ccccc2Br)c(Cl)n1
InChIInChI=1S/C13H12BrCl2N3/c1-19(2)7-10-17-12(15)11(13(16)18-10)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3
InChIKeySYJOYYNQYQMMRD-UHFFFAOYSA-N
XLogP4.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromophenyl)-4,6-dichloro-2-(2-methylpropyl)pyrimidine
CID 79438939
5-(2-bromophenyl)-4,6-dichloro-2-(2-ethoxyethyl)pyrimidine
CID 106815034
5-(2-bromophenyl)-4,6-dichloro-2-(thiophen-2-ylmethyl)pyrimidine
CID 79435670
5-(2-bromophenyl)-4,6-dichloro-2-phenylpyrimidine
CID 79435454
5-(2-bromophenyl)-4,6-dichloro-2-(1-ethoxypropyl)pyrimidine
CID 116706650
5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine
CID 79438940
5-(2-bromophenyl)-2-(4-bromothiophen-2-yl)-4,6-dichloropyrimidine
CID 79434225
1-(4,6-dichloro-5-methylpyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79077879
2-(4,6-dichloro-5-phenylpyrimidin-2-yl)-N,N-dimethylethanamine
CID 113291131
5-(2-bromophenyl)-2-[2-(dimethylamino)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 115345591
1-bromo-2-(2-bromophenyl)-3-chlorobenzene
CID 67154117
1-(3-bromo-2-chlorophenyl)-N,N-dimethylmethanamine
CID 135395590

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine (CID 79439579) is 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1nc(Cl)c(-c2ccccc2Br)c(Cl)n1.
What is the InChIKey of 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is SYJOYYNQYQMMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N3/c1-19(2)7-10-17-12(15)11(13(16)18-10)8-5-3-4-6-9(8)14/h3-6H,7H2,1-2H3.
What are the key properties of 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine?
1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 361.07 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromophenyl)-4,6-dichloropyrimidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 79439579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).