1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione

C12H18N2O3 — CID 43161181

IUPAC1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione
SMILESCC(C)CCC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O3/c1-8(2)5-6-10(15)9-7-13(3)12(17)14(4)11(9)16/h7-8H,5-6H2,1-4H3
InChIKeyZHUVTFBGWCILCY-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.70
Rot. Bonds4

About 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione

1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione (PubChem CID 43161181) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione
PubChem CID43161181
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione
SMILESCC(C)CCC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O3/c1-8(2)5-6-10(15)9-7-13(3)12(17)14(4)11(9)16/h7-8H,5-6H2,1-4H3
InChIKeyZHUVTFBGWCILCY-UHFFFAOYSA-N
XLogP0.70
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione (CID 43161181) is 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione is CC(C)CCC(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione?
The InChIKey is ZHUVTFBGWCILCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(2)5-6-10(15)9-7-13(3)12(17)14(4)11(9)16/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-methylpentanoyl)pyrimidine-2,4-dione is sourced from PubChem (CID 43161181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).