5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one

C8H12N2O2 — CID 71351556

IUPAC5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1C
InChIInChI=1S/C8H12N2O2/c1-4-7(6(3)11)5(2)10-8(12)9-4/h4H,1-3H3,(H2,9,10,12)
InChIKeyYHPINGWPBONOBQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.55
Rot. Bonds1

About 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 71351556) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID71351556
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1C
InChIInChI=1S/C8H12N2O2/c1-4-7(6(3)11)5(2)10-8(12)9-4/h4H,1-3H3,(H2,9,10,12)
InChIKeyYHPINGWPBONOBQ-UHFFFAOYSA-N
XLogP0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one (CID 71351556) is 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(C)NC(=O)NC1C.
What is the InChIKey of 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is YHPINGWPBONOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-7(6(3)11)5(2)10-8(12)9-4/h4H,1-3H3,(H2,9,10,12).
What are the key properties of 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 168.20 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 71351556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).