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

C10H16N2O — CID 23401236

IUPAC2,3-di(propan-2-yl)pyrimidin-4-one
SMILESCC(C)c1nccc(=O)n1C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)10-11-6-5-9(13)12(10)8(3)4/h5-8H,1-4H3
InChIKeySSDSEWVWGRCNQB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds2

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

2,3-di(propan-2-yl)pyrimidin-4-one (PubChem CID 23401236) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name2,3-di(propan-2-yl)pyrimidin-4-one
PubChem CID23401236
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2,3-di(propan-2-yl)pyrimidin-4-one
SMILESCC(C)c1nccc(=O)n1C(C)C
InChIInChI=1S/C10H16N2O/c1-7(2)10-11-6-5-9(13)12(10)8(3)4/h5-8H,1-4H3
InChIKeySSDSEWVWGRCNQB-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 2,3-di(propan-2-yl)pyrimidin-4-one?
The IUPAC name of 2,3-di(propan-2-yl)pyrimidin-4-one (CID 23401236) is 2,3-di(propan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 2,3-di(propan-2-yl)pyrimidin-4-one?
The canonical SMILES for 2,3-di(propan-2-yl)pyrimidin-4-one is CC(C)c1nccc(=O)n1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)pyrimidin-4-one?
The InChIKey is SSDSEWVWGRCNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)10-11-6-5-9(13)12(10)8(3)4/h5-8H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)pyrimidin-4-one?
2,3-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 2,3-di(propan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 23401236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).