2-cyclopentyl-1,4,5,6-tetrahydropyrimidine

C9H16N2 — CID 130566153

IUPAC2-cyclopentyl-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(C2CCCC2)NC1
InChIInChI=1S/C9H16N2/c1-2-5-8(4-1)9-10-6-3-7-11-9/h8H,1-7H2,(H,10,11)
InChIKeyXVTJPSXXKMJCNU-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.57
Rot. Bonds1

About 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine

2-cyclopentyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 130566153) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-1,4,5,6-tetrahydropyrimidine
PubChem CID130566153
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-cyclopentyl-1,4,5,6-tetrahydropyrimidine
SMILESC1CN=C(C2CCCC2)NC1
InChIInChI=1S/C9H16N2/c1-2-5-8(4-1)9-10-6-3-7-11-9/h8H,1-7H2,(H,10,11)
InChIKeyXVTJPSXXKMJCNU-UHFFFAOYSA-N
XLogP1.57
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine 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-cyclopentyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine (CID 130566153) is 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine is C1CN=C(C2CCCC2)NC1.
What is the InChIKey of 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is XVTJPSXXKMJCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-5-8(4-1)9-10-6-3-7-11-9/h8H,1-7H2,(H,10,11).
What are the key properties of 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine?
2-cyclopentyl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 152.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 130566153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).