5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine

C14H22BrN3 — CID 66300703

IUPAC5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CCCC2)nc(C(C)C)c1Br
InChIInChI=1S/C14H22BrN3/c1-4-16-14-11(15)12(9(2)3)17-13(18-14)10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyIBDFITCICVACQW-UHFFFAOYSA-N
MW312.26 g/mol
LogP4.45
Rot. Bonds4

About 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66300703) has the molecular formula C14H22BrN3 and a molecular weight of 312.26 g/mol. Its IUPAC name is 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID66300703
Molecular FormulaC14H22BrN3
Molecular Weight312.26 g/mol
Exact Mass311.10
IUPAC Name5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CCCC2)nc(C(C)C)c1Br
InChIInChI=1S/C14H22BrN3/c1-4-16-14-11(15)12(9(2)3)17-13(18-14)10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18)
InChIKeyIBDFITCICVACQW-UHFFFAOYSA-N
XLogP4.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-cyclopentyl-N-ethyl-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-(4,4-dimethylcyclohexyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300704
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922
5-bromo-2-cycloheptyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66300892
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
5-bromo-2-cyclooctyl-N-ethyl-6-(methoxymethyl)pyrimidin-4-amine
CID 80610799
5-bromo-2-cyclohexyl-6-propan-2-ylpyrimidin-4-amine
CID 66300489
5-bromo-4-chloro-2-cyclooctyl-6-propan-2-ylpyrimidine
CID 80603976
5-bromo-N-ethyl-2-(2-methylpropyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300310
5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66306278
5-bromo-N-methyl-6-propan-2-yl-2-(thian-2-yl)pyrimidin-4-amine
CID 80636691

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 66300703) is 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(C2CCCC2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is IBDFITCICVACQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-4-16-14-11(15)12(9(2)3)17-13(18-14)10-7-5-6-8-10/h9-10H,4-8H2,1-3H3,(H,16,17,18).
What are the key properties of 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 312.26 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66300703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).