4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one

C10H14N2O — CID 130485285

IUPAC4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one
SMILESCC(C)=CCn1ccc(C)nc1=O
InChIInChI=1S/C10H14N2O/c1-8(2)4-6-12-7-5-9(3)11-10(12)13/h4-5,7H,6H2,1-3H3
InChIKeyDJPUJGQRIBCIHU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.52
Rot. Bonds2

About 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one

4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one (PubChem CID 130485285) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one
PubChem CID130485285
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one
SMILESCC(C)=CCn1ccc(C)nc1=O
InChIInChI=1S/C10H14N2O/c1-8(2)4-6-12-7-5-9(3)11-10(12)13/h4-5,7H,6H2,1-3H3
InChIKeyDJPUJGQRIBCIHU-UHFFFAOYSA-N
XLogP1.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-1-prop-2-enyl-4-(trifluoromethyl)pyrimidin-2-one
CID 25172761
4-Methyl-1-propan-2-ylpyrimidin-2-one
CID 20735989
5-Ethenyl-1,4-dimethylpyrimidin-2-one
CID 54405450
1-Tert-butyl-4-methylpyrimidin-2-one
CID 57816392
1-Tert-butyl-4,5-dimethylpyrimidin-2-one
CID 57838999
1-Ethyl-4,5-dimethylpyrimidin-2-one
CID 58719981
1,4,6-Trimethyl-3-prop-2-enylpyrimidin-1-ium-2-one
CID 59211357
4,5-Dimethyl-1-propan-2-ylpyrimidin-2-one
CID 66798504
1-Ethyl-4-methylpyrimidin-2-one
CID 68421518
1,4-Diethylpyrimidin-2-one
CID 89508919
1-Tert-butyl-5-deuterio-4-methylpyrimidin-2-one
CID 129013324
1-Tert-butyl-6-deuterio-4-methylpyrimidin-2-one
CID 129013325

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one?
The IUPAC name of 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one (CID 130485285) is 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one.
What is the SMILES notation for 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one?
The canonical SMILES for 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one is CC(C)=CCn1ccc(C)nc1=O.
What is the InChIKey of 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one?
The InChIKey is DJPUJGQRIBCIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8(2)4-6-12-7-5-9(3)11-10(12)13/h4-5,7H,6H2,1-3H3.
What are the key properties of 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one?
4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one has a molecular weight of 178.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylbut-2-enyl)pyrimidin-2-one is sourced from PubChem (CID 130485285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).