4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one

C18H20N2O2 — CID 158116534

IUPAC4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(=O)CC(C)c2ccc(C3CC3)cc2)cc(=O)[nH]1
InChIInChI=1S/C18H20N2O2/c1-11(13-3-5-14(6-4-13)15-7-8-15)9-17(21)16-10-18(22)20-12(2)19-16/h3-6,10-11,15H,7-9H2,1-2H3,(H,19,20,22)
InChIKeyFRBQVTORWDHYOD-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.33
Rot. Bonds5

About 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one

4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 158116534) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID158116534
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(C(=O)CC(C)c2ccc(C3CC3)cc2)cc(=O)[nH]1
InChIInChI=1S/C18H20N2O2/c1-11(13-3-5-14(6-4-13)15-7-8-15)9-17(21)16-10-18(22)20-12(2)19-16/h3-6,10-11,15H,7-9H2,1-2H3,(H,19,20,22)
InChIKeyFRBQVTORWDHYOD-UHFFFAOYSA-N
XLogP3.33
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one (CID 158116534) is 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(C(=O)CC(C)c2ccc(C3CC3)cc2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is FRBQVTORWDHYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11(13-3-5-14(6-4-13)15-7-8-15)9-17(21)16-10-18(22)20-12(2)19-16/h3-6,10-11,15H,7-9H2,1-2H3,(H,19,20,22).
What are the key properties of 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one?
4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 296.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-cyclopropylphenyl)butanoyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 158116534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).