1-(3-aminopropyl)pyrimidin-2-one

C7H11N3O — CID 16786789

IUPAC1-(3-aminopropyl)pyrimidin-2-one
SMILESNCCCn1cccnc1=O
InChIInChI=1S/C7H11N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h2,4,6H,1,3,5,8H2
InChIKeyUMTWOZPNHLHVDM-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.41
Rot. Bonds3

About 1-(3-aminopropyl)pyrimidin-2-one

1-(3-aminopropyl)pyrimidin-2-one (PubChem CID 16786789) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(3-aminopropyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)pyrimidin-2-one
PubChem CID16786789
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(3-aminopropyl)pyrimidin-2-one
SMILESNCCCn1cccnc1=O
InChIInChI=1S/C7H11N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h2,4,6H,1,3,5,8H2
InChIKeyUMTWOZPNHLHVDM-UHFFFAOYSA-N
XLogP-0.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-aminopropyl)pyrimidin-2-one 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 1-(3-aminopropyl)pyrimidin-2-one?
The IUPAC name of 1-(3-aminopropyl)pyrimidin-2-one (CID 16786789) is 1-(3-aminopropyl)pyrimidin-2-one.
What is the SMILES notation for 1-(3-aminopropyl)pyrimidin-2-one?
The canonical SMILES for 1-(3-aminopropyl)pyrimidin-2-one is NCCCn1cccnc1=O.
What is the InChIKey of 1-(3-aminopropyl)pyrimidin-2-one?
The InChIKey is UMTWOZPNHLHVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h2,4,6H,1,3,5,8H2.
What are the key properties of 1-(3-aminopropyl)pyrimidin-2-one?
1-(3-aminopropyl)pyrimidin-2-one has a molecular weight of 153.19 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)pyrimidin-2-one is sourced from PubChem (CID 16786789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).