5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine

C13H20BrN3 — CID 66307658

IUPAC5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCNc1nc(C2CCCC(C)C2)nc(C)c1Br
InChIInChI=1S/C13H20BrN3/c1-8-5-4-6-10(7-8)12-16-9(2)11(14)13(15-3)17-12/h8,10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyYXKPDSPSIRFHKC-UHFFFAOYSA-N
MW298.23 g/mol
LogP3.88
Rot. Bonds2

About 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine

5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine (PubChem CID 66307658) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
PubChem CID66307658
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
SMILESCNc1nc(C2CCCC(C)C2)nc(C)c1Br
InChIInChI=1S/C13H20BrN3/c1-8-5-4-6-10(7-8)12-16-9(2)11(14)13(15-3)17-12/h8,10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyYXKPDSPSIRFHKC-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-methyl-2-(3-methylcyclohexyl)pyrimidin-4-amine
CID 66301834
5-bromo-2-(3-ethylcyclohexyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66307681
2-(3-ethylcyclohexyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65413620
4,6-dichloro-5-methyl-2-(3-methylcyclohexyl)pyrimidine
CID 63611976
N-[2-[4,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-5-yl]ethyl]propan-1-amine
CID 62746343
5-bromo-2-(3-methylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 66301275
2-cyclopropyl-N,5-dimethyl-6-(3-methylcyclohexyl)oxypyrimidin-4-amine
CID 80989722
5-bromo-2-cyclobutyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294324
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 103346631
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65399993

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine (CID 66307658) is 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine is CNc1nc(C2CCCC(C)C2)nc(C)c1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
The InChIKey is YXKPDSPSIRFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-8-5-4-6-10(7-8)12-16-9(2)11(14)13(15-3)17-12/h8,10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine?
5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-2-(3-methylcyclohexyl)pyrimidin-4-amine is sourced from PubChem (CID 66307658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).