5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one

C9H10N2O — CID 126996184

IUPAC5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one
SMILESC#CCn1cnc(C)c(C)c1=O
InChIInChI=1S/C9H10N2O/c1-4-5-11-6-10-8(3)7(2)9(11)12/h1,6H,5H2,2-3H3
InChIKeyUJDRIPAODUQONH-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.49
Rot. Bonds1

About 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one

5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one (PubChem CID 126996184) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one
PubChem CID126996184
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one
SMILESC#CCn1cnc(C)c(C)c1=O
InChIInChI=1S/C9H10N2O/c1-4-5-11-6-10-8(3)7(2)9(11)12/h1,6H,5H2,2-3H3
InChIKeyUJDRIPAODUQONH-UHFFFAOYSA-N
XLogP0.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-3-prop-2-ynylpyrimidin-4-one
CID 114583014
3-(4,5-dimethyl-6-oxopyrimidin-1-yl)propanamide
CID 131015419
3-prop-2-ynylquinazolin-4-one
CID 603496
5,6-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)pyrimidin-4-one
CID 86792598
6-ethyl-3-prop-2-ynylpyrimidin-4-one
CID 130725385
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
1,3-dimethyl-7-prop-2-ynyl-6-sulfanylidenepurin-2-one
CID 10353992
3-[(2-methoxy-4-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 136535534
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53014407
3-[(2-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 136535535
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941190
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 71795223

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one (CID 126996184) is 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one is C#CCn1cnc(C)c(C)c1=O.
What is the InChIKey of 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one?
The InChIKey is UJDRIPAODUQONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-4-5-11-6-10-8(3)7(2)9(11)12/h1,6H,5H2,2-3H3.
What are the key properties of 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one?
5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one has a molecular weight of 162.19 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-prop-2-ynylpyrimidin-4-one is sourced from PubChem (CID 126996184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).