2,4-dipropyl-1H-pyrimidin-6-one

C10H16N2O — CID 135966776

IUPAC2,4-dipropyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(CCC)n1
InChIInChI=1S/C10H16N2O/c1-3-5-8-7-10(13)12-9(11-8)6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRTQKZZUTLPTPNH-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds4

About 2,4-dipropyl-1H-pyrimidin-6-one

2,4-dipropyl-1H-pyrimidin-6-one (PubChem CID 135966776) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,4-dipropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dipropyl-1H-pyrimidin-6-one
PubChem CID135966776
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,4-dipropyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(CCC)n1
InChIInChI=1S/C10H16N2O/c1-3-5-8-7-10(13)12-9(11-8)6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRTQKZZUTLPTPNH-UHFFFAOYSA-N
XLogP1.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-dipropyl-1H-pyrimidin-6-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 2,4-dipropyl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dipropyl-1H-pyrimidin-6-one (CID 135966776) is 2,4-dipropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dipropyl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dipropyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(CCC)n1.
What is the InChIKey of 2,4-dipropyl-1H-pyrimidin-6-one?
The InChIKey is RTQKZZUTLPTPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-8-7-10(13)12-9(11-8)6-4-2/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 2,4-dipropyl-1H-pyrimidin-6-one?
2,4-dipropyl-1H-pyrimidin-6-one has a molecular weight of 180.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dipropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135966776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).