3-propan-2-yl-4,5-dihydropyrimidin-6-one

C7H12N2O — CID 59104104

IUPAC3-propan-2-yl-4,5-dihydropyrimidin-6-one
SMILESCC(C)N1C=NC(=O)CC1
InChIInChI=1S/C7H12N2O/c1-6(2)9-4-3-7(10)8-5-9/h5-6H,3-4H2,1-2H3
InChIKeyCXBFKSBBHSMEOI-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.66
Rot. Bonds1

About 3-propan-2-yl-4,5-dihydropyrimidin-6-one

3-propan-2-yl-4,5-dihydropyrimidin-6-one (PubChem CID 59104104) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-propan-2-yl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-propan-2-yl-4,5-dihydropyrimidin-6-one
PubChem CID59104104
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-propan-2-yl-4,5-dihydropyrimidin-6-one
SMILESCC(C)N1C=NC(=O)CC1
InChIInChI=1S/C7H12N2O/c1-6(2)9-4-3-7(10)8-5-9/h5-6H,3-4H2,1-2H3
InChIKeyCXBFKSBBHSMEOI-UHFFFAOYSA-N
XLogP0.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 3-propan-2-yl-4,5-dihydropyrimidin-6-one (CID 59104104) is 3-propan-2-yl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 3-propan-2-yl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 3-propan-2-yl-4,5-dihydropyrimidin-6-one is CC(C)N1C=NC(=O)CC1.
What is the InChIKey of 3-propan-2-yl-4,5-dihydropyrimidin-6-one?
The InChIKey is CXBFKSBBHSMEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6(2)9-4-3-7(10)8-5-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yl-4,5-dihydropyrimidin-6-one?
3-propan-2-yl-4,5-dihydropyrimidin-6-one has a molecular weight of 140.19 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 59104104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).