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

C11H16N2O3 — CID 43161210

IUPAC1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione
SMILESCC(C)CC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O3/c1-7(2)5-9(14)8-6-12(3)11(16)13(4)10(8)15/h6-7H,5H2,1-4H3
InChIKeyLFHAYGYQTCYVQF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.31
Rot. Bonds3

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

1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione (PubChem CID 43161210) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione
PubChem CID43161210
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione
SMILESCC(C)CC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O3/c1-7(2)5-9(14)8-6-12(3)11(16)13(4)10(8)15/h6-7H,5H2,1-4H3
InChIKeyLFHAYGYQTCYVQF-UHFFFAOYSA-N
XLogP0.31
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 899353
5-acetyl-1-isopentylpyrimidine-2,4(1H,3H)-dione
CID 901795
5-Acetyl-3-methyl-1-octan-2-ylpyrimidine-2,4-dione
CID 4196548
5-hydroxy-6-isobutyl-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 33677240
5-Butyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 13897053
1,3-Dimethyl-5-(3,3,3-trifluoropropanoyl)pyrimidine-2,4-dione
CID 43161201
1,3-Dimethyl-5-(4,4,4-trifluorobutanoyl)pyrimidine-2,4-dione
CID 65709705
1,3-Dimethyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]pyrimidine-2,4-dione
CID 103309360
5-acetyl-1-hexylpyrimidine-2,4(1H,3H)-dione
CID 56690069
5-(Cyclohexylmethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 15673462
1,3-Dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione
CID 43161185
5-(2,2-Dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione
CID 43161186

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione (CID 43161210) is 1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione is CC(C)CC(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione?
The InChIKey is LFHAYGYQTCYVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(2)5-9(14)8-6-12(3)11(16)13(4)10(8)15/h6-7H,5H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione?
1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methylbutanoyl)pyrimidine-2,4-dione is sourced from PubChem (CID 43161210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).