3,5-di(propan-2-yl)pyrimidin-4-one

C10H16N2O — CID 20641831

IUPAC3,5-di(propan-2-yl)pyrimidin-4-one
SMILESCC(C)c1cncn(C(C)C)c1=O
InChIInChI=1S/C10H16N2O/c1-7(2)9-5-11-6-12(8(3)4)10(9)13/h5-8H,1-4H3
InChIKeySBVKGVYNOGLCQM-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds2

About 3,5-di(propan-2-yl)pyrimidin-4-one

3,5-di(propan-2-yl)pyrimidin-4-one (PubChem CID 20641831) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3,5-di(propan-2-yl)pyrimidin-4-one
PubChem CID20641831
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3,5-di(propan-2-yl)pyrimidin-4-one
SMILESCC(C)c1cncn(C(C)C)c1=O
InChIInChI=1S/C10H16N2O/c1-7(2)9-5-11-6-12(8(3)4)10(9)13/h5-8H,1-4H3
InChIKeySBVKGVYNOGLCQM-UHFFFAOYSA-N
XLogP1.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)pyrimidin-4-one?
The IUPAC name of 3,5-di(propan-2-yl)pyrimidin-4-one (CID 20641831) is 3,5-di(propan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 3,5-di(propan-2-yl)pyrimidin-4-one?
The canonical SMILES for 3,5-di(propan-2-yl)pyrimidin-4-one is CC(C)c1cncn(C(C)C)c1=O.
What is the InChIKey of 3,5-di(propan-2-yl)pyrimidin-4-one?
The InChIKey is SBVKGVYNOGLCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)9-5-11-6-12(8(3)4)10(9)13/h5-8H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)pyrimidin-4-one?
3,5-di(propan-2-yl)pyrimidin-4-one has a molecular weight of 180.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 20641831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).