N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine

C11H8BrCl2N3 — CID 55230638

IUPACN-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H8BrCl2N3/c1-6-10(14)15-5-16-11(6)17-9-3-2-7(12)4-8(9)13/h2-5H,1H3,(H,15,16,17)
InChIKeyCCXLQEOCQHXMKR-UHFFFAOYSA-N
MW333.02 g/mol
LogP4.60
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine

N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine (PubChem CID 55230638) has the molecular formula C11H8BrCl2N3 and a molecular weight of 333.02 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
PubChem CID55230638
Molecular FormulaC11H8BrCl2N3
Molecular Weight333.02 g/mol
Exact Mass330.93
IUPAC NameN-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1ccc(Br)cc1Cl
InChIInChI=1S/C11H8BrCl2N3/c1-6-10(14)15-5-16-11(6)17-9-3-2-7(12)4-8(9)13/h2-5H,1H3,(H,15,16,17)
InChIKeyCCXLQEOCQHXMKR-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

6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63736084
N-(4-bromo-2-chlorophenyl)-6-chloro-2,5-dimethylpyrimidin-4-amine
CID 63729411
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
6-chloro-5-methyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 63735421
3-N-(4-bromo-2-chlorophenyl)pyrazine-2,3-diamine
CID 102985399
4-N-(4-bromo-2-chlorophenyl)-5-propylpyrimidine-4,6-diamine
CID 80772955
6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 63734039
N-(4-bromo-2-chlorophenyl)-6,7,8-trimethoxyquinazolin-4-amine
CID 24767185
6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
CID 63735089
4-N-(5-bromo-2-chlorophenyl)-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80825088
3-bromo-N-(4-bromo-2-chlorophenyl)pyridin-2-amine
CID 55219349

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine (CID 55230638) is N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine?
The InChIKey is CCXLQEOCQHXMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3/c1-6-10(14)15-5-16-11(6)17-9-3-2-7(12)4-8(9)13/h2-5H,1H3,(H,15,16,17).
What are the key properties of N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine?
N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-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 N-(4-bromo-2-chlorophenyl)-6-chloro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 55230638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).