5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine

C12H18BrN3 — CID 66301834

IUPAC5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCNc1nc(C2CCCC(C)C2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-4-3-5-9(6-8)11-15-7-10(13)12(14-2)16-11/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyBUSMNXAACNLERN-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.57
Rot. Bonds2

About 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine

5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 66301834) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
PubChem CID66301834
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCNc1nc(C2CCCC(C)C2)ncc1Br
InChIInChI=1S/C12H18BrN3/c1-8-4-3-5-9(6-8)11-15-7-10(13)12(14-2)16-11/h7-9H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyBUSMNXAACNLERN-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66307658
5-bromo-N-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66302859
5-bromo-2-cyclopentyl-N-propylpyrimidin-4-amine
CID 66302677
2-(3-ethylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302086
trans-(1S,2S)-2-[[5-bromo-4-(methylamino)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 99857879
2-cyclooctyl-5-iodo-N-methylpyrimidin-4-amine
CID 80611090
[2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62252332
2-(3-methylcyclohexyl)-7,8-dihydro-6H-quinazolin-5-one
CID 62007667
2-(3-methylcyclohexyl)pyrimidine-5-carboxylic acid
CID 62756246
[2-(3-methylcyclohexyl)-4-propylpyrimidin-5-yl]methanol
CID 114205023
5-bromo-2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylpyrimidin-4-amine
CID 79974791
5-bromo-2-N,4-N-dimethyl-2-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 133498461

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine (CID 66301834) is 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine is CNc1nc(C2CCCC(C)C2)ncc1Br.
What is the InChIKey of 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is BUSMNXAACNLERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-8-4-3-5-9(6-8)11-15-7-10(13)12(14-2)16-11/h7-9H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 284.20 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 66301834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).