5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one

C9H15N3O — CID 82503870

IUPAC5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CCCN
InChIInChI=1S/C9H15N3O/c1-6-8(4-3-5-10)7(2)12-9(13)11-6/h3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyHFBHTKMZVKABIK-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.28
Rot. Bonds3

About 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one

5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one (PubChem CID 82503870) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one
PubChem CID82503870
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one
SMILESCc1nc(=O)[nH]c(C)c1CCCN
InChIInChI=1S/C9H15N3O/c1-6-8(4-3-5-10)7(2)12-9(13)11-6/h3-5,10H2,1-2H3,(H,11,12,13)
InChIKeyHFBHTKMZVKABIK-UHFFFAOYSA-N
XLogP0.28
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-aminopropyl)-4,6-dimethyl-1H-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 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one?
The IUPAC name of 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one (CID 82503870) is 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one is Cc1nc(=O)[nH]c(C)c1CCCN.
What is the InChIKey of 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one?
The InChIKey is HFBHTKMZVKABIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-8(4-3-5-10)7(2)12-9(13)11-6/h3-5,10H2,1-2H3,(H,11,12,13).
What are the key properties of 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one?
5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-4,6-dimethyl-1H-pyrimidin-2-one is sourced from PubChem (CID 82503870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).