3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione

C16H16N2O3 — CID 10755473

IUPAC3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione
SMILESCC(C)=Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C16H16N2O3/c1-11(2)9-17-10-12(3)14(19)18(16(17)21)15(20)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyFNVLCVJPKSEMBE-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.89
Rot. Bonds2

About 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione

3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione (PubChem CID 10755473) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione
PubChem CID10755473
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione
SMILESCC(C)=Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O
InChIInChI=1S/C16H16N2O3/c1-11(2)9-17-10-12(3)14(19)18(16(17)21)15(20)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyFNVLCVJPKSEMBE-UHFFFAOYSA-N
XLogP1.89
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione?
The IUPAC name of 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione (CID 10755473) is 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione is CC(C)=Cn1cc(C)c(=O)n(C(=O)c2ccccc2)c1=O.
What is the InChIKey of 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione?
The InChIKey is FNVLCVJPKSEMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11(2)9-17-10-12(3)14(19)18(16(17)21)15(20)13-7-5-4-6-8-13/h4-10H,1-3H3.
What are the key properties of 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione?
3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione has a molecular weight of 284.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-5-methyl-1-(2-methylprop-1-enyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10755473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).