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

C8H12N2O2 — CID 139067403

IUPAC(4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)N[C@@H]1C
InChIInChI=1S/C8H12N2O2/c1-4-7(6(3)11)5(2)10-8(12)9-4/h4H,1-3H3,(H2,9,10,12)/t4-/m1/s1
InChIKeyYHPINGWPBONOBQ-SCSAIBSYSA-N
MW168.20 g/mol
LogP0.55
Rot. Bonds1

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

(4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 139067403) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID139067403
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)N[C@@H]1C
InChIInChI=1S/C8H12N2O2/c1-4-7(6(3)11)5(2)10-8(12)9-4/h4H,1-3H3,(H2,9,10,12)/t4-/m1/s1
InChIKeyYHPINGWPBONOBQ-SCSAIBSYSA-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

Analyze (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-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 (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one (CID 139067403) is (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(C)NC(=O)N[C@@H]1C.
What is the InChIKey of (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is YHPINGWPBONOBQ-SCSAIBSYSA-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)/t4-/m1/s1.
What are the key properties of (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-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 (4R)-5-acetyl-4,6-dimethyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 139067403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).