4-cyclopentyloxypyrimidin-2-amine

C9H13N3O — CID 80861271

IUPAC4-cyclopentyloxypyrimidin-2-amine
SMILESNc1nccc(OC2CCCC2)n1
InChIInChI=1S/C9H13N3O/c10-9-11-6-5-8(12-9)13-7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12)
InChIKeyFNIJWHCOQRZMIO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.38
Rot. Bonds2

About 4-cyclopentyloxypyrimidin-2-amine

4-cyclopentyloxypyrimidin-2-amine (PubChem CID 80861271) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-cyclopentyloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyloxypyrimidin-2-amine
PubChem CID80861271
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-cyclopentyloxypyrimidin-2-amine
SMILESNc1nccc(OC2CCCC2)n1
InChIInChI=1S/C9H13N3O/c10-9-11-6-5-8(12-9)13-7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12)
InChIKeyFNIJWHCOQRZMIO-UHFFFAOYSA-N
XLogP1.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopentyloxypyrimidin-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 4-cyclopentyloxypyrimidin-2-amine?
The IUPAC name of 4-cyclopentyloxypyrimidin-2-amine (CID 80861271) is 4-cyclopentyloxypyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyloxypyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyloxypyrimidin-2-amine is Nc1nccc(OC2CCCC2)n1.
What is the InChIKey of 4-cyclopentyloxypyrimidin-2-amine?
The InChIKey is FNIJWHCOQRZMIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9-11-6-5-8(12-9)13-7-3-1-2-4-7/h5-7H,1-4H2,(H2,10,11,12).
What are the key properties of 4-cyclopentyloxypyrimidin-2-amine?
4-cyclopentyloxypyrimidin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxypyrimidin-2-amine is sourced from PubChem (CID 80861271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).