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

C11H9BrClN3 — CID 55252301

IUPAC5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(Br)cn2)c(Cl)c1
InChIInChI=1S/C11H9BrClN3/c1-7-2-3-10(9(13)4-7)16-11-14-5-8(12)6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyDWGQDATUMZSBOS-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.94
Rot. Bonds2

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

5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine (PubChem CID 55252301) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is 5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
PubChem CID55252301
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc(Br)cn2)c(Cl)c1
InChIInChI=1S/C11H9BrClN3/c1-7-2-3-10(9(13)4-7)16-11-14-5-8(12)6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyDWGQDATUMZSBOS-UHFFFAOYSA-N
XLogP3.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-chloro-4-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998597
5-bromo-N-(5-bromo-2-chlorophenyl)pyrimidin-2-amine
CID 63867695
5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 63874390
2-(2,4-dichloroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266433
5-chloro-4-N-(2-chloro-4-methylphenyl)pyrimidine-2,4-diamine
CID 80755519
1-N-(4-bromo-2-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 43349543
5-bromo-N-(4-bromo-2-ethylphenyl)pyrimidin-2-amine
CID 81288979
2-(2-chloro-4-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620655
4-N-(2-chloro-4-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80755520
N-(2,4-dimethylphenyl)-5-iodopyrimidin-2-amine
CID 116648838
2-N-(4-bromo-2-chlorophenyl)-5-methylpyridine-2,3-diamine
CID 66278414
2-N-(2-bromo-4-methylphenyl)-3-chloropyridine-2,5-diamine
CID 114046080

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine (CID 55252301) is 5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine is Cc1ccc(Nc2ncc(Br)cn2)c(Cl)c1.
What is the InChIKey of 5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine?
The InChIKey is DWGQDATUMZSBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c1-7-2-3-10(9(13)4-7)16-11-14-5-8(12)6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine?
5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine has a molecular weight of 298.57 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 55252301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).