2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine

C13H21N3O — CID 113397456

IUPAC2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine
SMILESCOc1cc(CC(N)C2(C)CCCC2)ncn1
InChIInChI=1S/C13H21N3O/c1-13(5-3-4-6-13)11(14)7-10-8-12(17-2)16-9-15-10/h8-9,11H,3-7,14H2,1-2H3
InChIKeyVBUXFGLRJQFZPF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds4

About 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine

2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine (PubChem CID 113397456) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine.

Molecular Properties

Compound Name2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine
PubChem CID113397456
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine
SMILESCOc1cc(CC(N)C2(C)CCCC2)ncn1
InChIInChI=1S/C13H21N3O/c1-13(5-3-4-6-13)11(14)7-10-8-12(17-2)16-9-15-10/h8-9,11H,3-7,14H2,1-2H3
InChIKeyVBUXFGLRJQFZPF-UHFFFAOYSA-N
XLogP1.94
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine?
The IUPAC name of 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine (CID 113397456) is 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine.
What is the SMILES notation for 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine?
The canonical SMILES for 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine is COc1cc(CC(N)C2(C)CCCC2)ncn1.
What is the InChIKey of 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine?
The InChIKey is VBUXFGLRJQFZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(5-3-4-6-13)11(14)7-10-8-12(17-2)16-9-15-10/h8-9,11H,3-7,14H2,1-2H3.
What are the key properties of 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine?
2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxypyrimidin-4-yl)-1-(1-methylcyclopentyl)ethanamine is sourced from PubChem (CID 113397456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).