3-[2-(methylamino)pentyl]pyrimidin-4-one

C10H17N3O — CID 63768306

IUPAC3-[2-(methylamino)pentyl]pyrimidin-4-one
SMILESCCCC(Cn1cnccc1=O)NC
InChIInChI=1S/C10H17N3O/c1-3-4-9(11-2)7-13-8-12-6-5-10(13)14/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyWKKURDHNTBJEFR-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.63
Rot. Bonds5

About 3-[2-(methylamino)pentyl]pyrimidin-4-one

3-[2-(methylamino)pentyl]pyrimidin-4-one (PubChem CID 63768306) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[2-(methylamino)pentyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(methylamino)pentyl]pyrimidin-4-one
PubChem CID63768306
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[2-(methylamino)pentyl]pyrimidin-4-one
SMILESCCCC(Cn1cnccc1=O)NC
InChIInChI=1S/C10H17N3O/c1-3-4-9(11-2)7-13-8-12-6-5-10(13)14/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyWKKURDHNTBJEFR-UHFFFAOYSA-N
XLogP0.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(methylamino)pentyl]pyrimidin-4-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 3-[2-(methylamino)pentyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(methylamino)pentyl]pyrimidin-4-one (CID 63768306) is 3-[2-(methylamino)pentyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(methylamino)pentyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(methylamino)pentyl]pyrimidin-4-one is CCCC(Cn1cnccc1=O)NC.
What is the InChIKey of 3-[2-(methylamino)pentyl]pyrimidin-4-one?
The InChIKey is WKKURDHNTBJEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-9(11-2)7-13-8-12-6-5-10(13)14/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of 3-[2-(methylamino)pentyl]pyrimidin-4-one?
3-[2-(methylamino)pentyl]pyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylamino)pentyl]pyrimidin-4-one is sourced from PubChem (CID 63768306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).