N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C17H25N3 — CID 110004707

IUPACN-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(CC2(CNC3=NCCCN3)CCCC2)cc1
InChIInChI=1S/C17H25N3/c1-2-7-15(8-3-1)13-17(9-4-5-10-17)14-20-16-18-11-6-12-19-16/h1-3,7-8H,4-6,9-14H2,(H2,18,19,20)
InChIKeyKHCZGRGQGBKDOR-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.73
Rot. Bonds4

About N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110004707) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110004707
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESc1ccc(CC2(CNC3=NCCCN3)CCCC2)cc1
InChIInChI=1S/C17H25N3/c1-2-7-15(8-3-1)13-17(9-4-5-10-17)14-20-16-18-11-6-12-19-16/h1-3,7-8H,4-6,9-14H2,(H2,18,19,20)
InChIKeyKHCZGRGQGBKDOR-UHFFFAOYSA-N
XLogP2.73
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine 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 N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110004707) is N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is c1ccc(CC2(CNC3=NCCCN3)CCCC2)cc1.
What is the InChIKey of N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is KHCZGRGQGBKDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-7-15(8-3-1)13-17(9-4-5-10-17)14-20-16-18-11-6-12-19-16/h1-3,7-8H,4-6,9-14H2,(H2,18,19,20).
What are the key properties of N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 271.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylcyclopentyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110004707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).