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

C7H12N2O — CID 173379083

IUPAC4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C)C(C)NC(=O)N1
InChIInChI=1S/C7H12N2O/c1-4-5(2)8-7(10)9-6(4)3/h5H,1-3H3,(H2,8,9,10)
InChIKeyKSIIYMVMNCGLQO-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.98
Rot. Bonds

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

4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 173379083) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID173379083
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC1=C(C)C(C)NC(=O)N1
InChIInChI=1S/C7H12N2O/c1-4-5(2)8-7(10)9-6(4)3/h5H,1-3H3,(H2,8,9,10)
InChIKeyKSIIYMVMNCGLQO-UHFFFAOYSA-N
XLogP0.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one (CID 173379083) is 4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one is CC1=C(C)C(C)NC(=O)N1.
What is the InChIKey of 4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is KSIIYMVMNCGLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-5(2)8-7(10)9-6(4)3/h5H,1-3H3,(H2,8,9,10).
What are the key properties of 4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one?
4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 140.19 g/mol, XLogP of 0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 173379083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).