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

C10H14N2O3 — CID 43161185

IUPAC1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)8(13)7-5-11(3)10(15)12(4)9(7)14/h5-6H,1-4H3
InChIKeyJPPNKPZMDLPIFB-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.08
Rot. Bonds2

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

1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione (PubChem CID 43161185) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione
PubChem CID43161185
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione
SMILESCC(C)C(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)8(13)7-5-11(3)10(15)12(4)9(7)14/h5-6H,1-4H3
InChIKeyJPPNKPZMDLPIFB-UHFFFAOYSA-N
XLogP-0.08
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.08
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-(2-methylpropanoyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione (CID 43161185) is 1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione is CC(C)C(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione?
The InChIKey is JPPNKPZMDLPIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)8(13)7-5-11(3)10(15)12(4)9(7)14/h5-6H,1-4H3.
What are the key properties of 1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione has a molecular weight of 210.23 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione is sourced from PubChem (CID 43161185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).