5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine

C12H12BrN3 — CID 63874390

IUPAC5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2ncc(Br)cn2)c1
InChIInChI=1S/C12H12BrN3/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyWRNJQEMKJCHBAH-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.60
Rot. Bonds2

About 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine

5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 63874390) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID63874390
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2ncc(Br)cn2)c1
InChIInChI=1S/C12H12BrN3/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h3-7H,1-2H3,(H,14,15,16)
InChIKeyWRNJQEMKJCHBAH-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-bromo-3,5-dimethoxyphenyl)pyrimidin-2-amine
CID 133435049
5-bromo-N-(2-chloro-4-methylphenyl)pyrimidin-2-amine
CID 55252301
5-bromo-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;trihydrochloride
CID 67203539
2-(3,5-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266834
5-bromo-3-chloro-N-(3,5-dimethylphenyl)pyridin-2-amine
CID 103583097
N-(3,5-dimethylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 134173031
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107581065
5-bromo-N-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 130622125
N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266961
[2-(3,5-dimethylanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249992
N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine
CID 63874751
N-(4-chlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine (CID 63874390) is 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2ncc(Br)cn2)c1.
What is the InChIKey of 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is WRNJQEMKJCHBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-8-3-9(2)5-11(4-8)16-12-14-6-10(13)7-15-12/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 278.15 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 63874390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).