4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C18H28N2O — CID 137127237

IUPAC4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(C)=CC(C)=C(C)c1nc(C(C)C)[nH]c(=O)c1C
InChIInChI=1S/C18H28N2O/c1-8-9-12(4)10-13(5)14(6)16-15(7)18(21)20-17(19-16)11(2)3/h10-11H,8-9H2,1-7H3,(H,19,20,21)
InChIKeyANUJUBLWPGGRGN-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.74
Rot. Bonds5

About 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137127237) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137127237
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCC(C)=CC(C)=C(C)c1nc(C(C)C)[nH]c(=O)c1C
InChIInChI=1S/C18H28N2O/c1-8-9-12(4)10-13(5)14(6)16-15(7)18(21)20-17(19-16)11(2)3/h10-11H,8-9H2,1-7H3,(H,19,20,21)
InChIKeyANUJUBLWPGGRGN-UHFFFAOYSA-N
XLogP4.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', '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
2,6-Dipropyl-3,4-dihydropyrimidin-4-one
CID 135966776
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
5-(But-3-en-2-yl)-2,6-dimethylpyrimidin-4(3h)-one
CID 137306452
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-(prop-2-en-1-yl)pyrimidin-4-ol
CID 135420403
2-butyl-4-propan-2-yl-1H-pyrimidin-6-one
CID 136279048
2-ethyl-6-(propan-2-yl)pyrimidin-4(3H)-one
CID 135632063
2,4-dibutyl-1H-pyrimidin-6-one
CID 135827995
2-butyl-4-propyl-1H-pyrimidin-6-one
CID 135827999

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 137127237) is 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is CCCC(C)=CC(C)=C(C)c1nc(C(C)C)[nH]c(=O)c1C.
What is the InChIKey of 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ANUJUBLWPGGRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-8-9-12(4)10-13(5)14(6)16-15(7)18(21)20-17(19-16)11(2)3/h10-11H,8-9H2,1-7H3,(H,19,20,21).
What are the key properties of 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 288.44 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylocta-2,4-dien-2-yl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137127237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).