5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one

C10H14N2O — CID 137306452

IUPAC5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one
SMILESC=CC(C)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C10H14N2O/c1-5-6(2)9-7(3)11-8(4)12-10(9)13/h5-6H,1H2,2-4H3,(H,11,12,13)
InChIKeyZUXNXYZFVCBAGG-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.68
Rot. Bonds2

About 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one

5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 137306452) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID137306452
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one
SMILESC=CC(C)c1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C10H14N2O/c1-5-6(2)9-7(3)11-8(4)12-10(9)13/h5-6H,1H2,2-4H3,(H,11,12,13)
InChIKeyZUXNXYZFVCBAGG-UHFFFAOYSA-N
XLogP1.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Allyl-2,6-dimethyl-4-pyrimidinol
CID 135447922
Aspergillusine A
CID 146684492
2,6-di(propan-2-yl)pyrimidin-4(3H)-one
CID 135631190
2-Methyl-6-(propan-2-yl)pyrimidin-4(1H)-one
CID 135702358
2,6-Dipropyl-3,4-dihydropyrimidin-4-one
CID 135966776
4-methyl-5-prop-2-enyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135997657
4-methyl-5-prop-2-enyl-2-propyl-1H-pyrimidin-6-one
CID 137277384
5-methyl-2,4-bis(2-methylpropyl)-1H-pyrimidin-6-one
CID 137286790
2-methyl-5-prop-2-enyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135665929
4-methyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136064331
4-methyl-5-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288768
4-(2-methylpropyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136298745

Frequently Asked Questions

What is the IUPAC name of 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one (CID 137306452) is 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one is C=CC(C)c1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is ZUXNXYZFVCBAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-6(2)9-7(3)11-8(4)12-10(9)13/h5-6H,1H2,2-4H3,(H,11,12,13).
What are the key properties of 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one?
5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 178.23 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-3-en-2-yl-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137306452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).