3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one

C13H16N4O — CID 55234918

IUPAC3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one
SMILESCCCNc1cc(Cn2cnccc2=O)ccn1
InChIInChI=1S/C13H16N4O/c1-2-5-15-12-8-11(3-7-16-12)9-17-10-14-6-4-13(17)18/h3-4,6-8,10H,2,5,9H2,1H3,(H,15,16)
InChIKeyDQYFZOHLLCYYSR-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.51
Rot. Bonds5

About 3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one

3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one (PubChem CID 55234918) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one
PubChem CID55234918
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one
SMILESCCCNc1cc(Cn2cnccc2=O)ccn1
InChIInChI=1S/C13H16N4O/c1-2-5-15-12-8-11(3-7-16-12)9-17-10-14-6-4-13(17)18/h3-4,6-8,10H,2,5,9H2,1H3,(H,15,16)
InChIKeyDQYFZOHLLCYYSR-UHFFFAOYSA-N
XLogP1.51
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(propylamino)-4-pyridinyl]methyl]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-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one (CID 55234918) is 3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one is CCCNc1cc(Cn2cnccc2=O)ccn1.
What is the InChIKey of 3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one?
The InChIKey is DQYFZOHLLCYYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-2-5-15-12-8-11(3-7-16-12)9-17-10-14-6-4-13(17)18/h3-4,6-8,10H,2,5,9H2,1H3,(H,15,16).
What are the key properties of 3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one?
3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one has a molecular weight of 244.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one is sourced from PubChem (CID 55234918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).