5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine

C15H24BrN3 — CID 66300892

IUPAC5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCCC2)nc(C(C)C)c1Br
InChIInChI=1S/C15H24BrN3/c1-10(2)13-12(16)15(17-3)19-14(18-13)11-8-6-4-5-7-9-11/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyWPDJTYFMHFLOGE-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.84
Rot. Bonds3

About 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300892) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300892
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C2CCCCCC2)nc(C(C)C)c1Br
InChIInChI=1S/C15H24BrN3/c1-10(2)13-12(16)15(17-3)19-14(18-13)11-8-6-4-5-7-9-11/h10-11H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyWPDJTYFMHFLOGE-UHFFFAOYSA-N
XLogP4.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-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-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300703
5-bromo-N-methyl-6-propan-2-yl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636691
5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 66300489
5-bromo-4-chloro-2-cyclooctyl-6-propan-2-ylpyrimidine
CID 80603976
2-cycloheptyl-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65399993
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
5-bromo-2-cyclooctyl-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 80609914
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
5-iodo-N-methyl-6-propan-2-yl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 66300334
5-bromo-2-cyclohexyl-N-methyl-6-phenylpyrimidin-4-amine
CID 66294532
5-bromo-2-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300704
5-bromo-2-(4-cyclopropylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79972059

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 66300892) is 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(C2CCCCCC2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is WPDJTYFMHFLOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-10(2)13-12(16)15(17-3)19-14(18-13)11-8-6-4-5-7-9-11/h10-11H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 326.28 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).