5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione

C16H18N2O3 — CID 80650254

IUPAC5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2ccc(C)c(C)c2)c(=O)n(C)c1=O
InChIInChI=1S/C16H18N2O3/c1-10-5-6-13(7-11(10)2)8-18-9-14(12(3)19)15(20)17(4)16(18)21/h5-7,9H,8H2,1-4H3
InChIKeyWJNRSSBZGCVVPN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.41
Rot. Bonds3

About 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione

5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione (PubChem CID 80650254) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione
PubChem CID80650254
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(Cc2ccc(C)c(C)c2)c(=O)n(C)c1=O
InChIInChI=1S/C16H18N2O3/c1-10-5-6-13(7-11(10)2)8-18-9-14(12(3)19)15(20)17(4)16(18)21/h5-7,9H,8H2,1-4H3
InChIKeyWJNRSSBZGCVVPN-UHFFFAOYSA-N
XLogP1.41
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione (CID 80650254) is 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione is CC(=O)c1cn(Cc2ccc(C)c(C)c2)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is WJNRSSBZGCVVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-5-6-13(7-11(10)2)8-18-9-14(12(3)19)15(20)17(4)16(18)21/h5-7,9H,8H2,1-4H3.
What are the key properties of 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione?
5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 286.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-[(3,4-dimethylphenyl)methyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 80650254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).