5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine

C11H8BrCl2N3 — CID 168509796

IUPAC5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
SMILESCc1cc(Nc2ncc(Br)c(Cl)n2)ccc1Cl
InChIInChI=1S/C11H8BrCl2N3/c1-6-4-7(2-3-9(6)13)16-11-15-5-8(12)10(14)17-11/h2-5H,1H3,(H,15,16,17)
InChIKeyXWLXKAYQWHRJSY-UHFFFAOYSA-N
MW333.02 g/mol
LogP4.60
Rot. Bonds2

About 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine

5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine (PubChem CID 168509796) has the molecular formula C11H8BrCl2N3 and a molecular weight of 333.02 g/mol. Its IUPAC name is 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
PubChem CID168509796
Molecular FormulaC11H8BrCl2N3
Molecular Weight333.02 g/mol
Exact Mass330.93
IUPAC Name5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine
SMILESCc1cc(Nc2ncc(Br)c(Cl)n2)ccc1Cl
InChIInChI=1S/C11H8BrCl2N3/c1-6-4-7(2-3-9(6)13)16-11-15-5-8(12)10(14)17-11/h2-5H,1H3,(H,15,16,17)
InChIKeyXWLXKAYQWHRJSY-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-N-(3,4-dichlorophenyl)pyrimidin-2-amine
CID 168509794
5-bromo-4-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 59354245
5-bromo-N-(4-bromo-3-chlorophenyl)-4-methoxypyrimidin-2-amine
CID 107616386
5-bromo-4-chloro-N-(2-fluoro-5-methylphenyl)pyrimidin-2-amine
CID 59354536
2-(4-chloro-3-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620191
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
5-bromo-4-chloro-N-(3,5-dimethylphenyl)pyrimidin-2-amine;5-bromo-2-(3,5-dimethylanilino)-1H-pyrimidin-6-one
CID 157364188
N-(4-chloro-3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11255564
N-[4-[[5-bromo-4-(4-chloroanilino)pyrimidin-2-yl]amino]-2-methylphenyl]methanesulfonamide
CID 142899026
N-(4-chloro-3-methylphenyl)-4-(4,5-dimethyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 70946567
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833
2-N-(4-amino-3-methylphenyl)-4-N-(4-chlorophenyl)-5-fluoropyrimidine-2,4-diamine
CID 142899048

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine (CID 168509796) is 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine is Cc1cc(Nc2ncc(Br)c(Cl)n2)ccc1Cl.
What is the InChIKey of 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine?
The InChIKey is XWLXKAYQWHRJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3/c1-6-4-7(2-3-9(6)13)16-11-15-5-8(12)10(14)17-11/h2-5H,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine?
5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine has a molecular weight of 333.02 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-N-(4-chloro-3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 168509796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).