5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione

C12H18N2O3 — CID 62678401

IUPAC5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC(C)(C)C(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O3/c1-6-12(2,3)9(15)8-7-13(4)11(17)14(5)10(8)16/h7H,6H2,1-5H3
InChIKeyPRBHWXJAMMVPPV-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.70
Rot. Bonds3

About 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione

5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 62678401) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID62678401
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCCC(C)(C)C(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N2O3/c1-6-12(2,3)9(15)8-7-13(4)11(17)14(5)10(8)16/h7H,6H2,1-5H3
InChIKeyPRBHWXJAMMVPPV-UHFFFAOYSA-N
XLogP0.70
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

5-Butyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 13897053
1,3-Dimethyl-5-(4,4,4-trifluorobutanoyl)pyrimidine-2,4-dione
CID 65709705
1,3-Dimethyl-5-(2-methylpropanoyl)pyrimidine-2,4-dione
CID 43161185
5-(2,2-Dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione
CID 43161186
5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
CID 58554670
5-(2,2-Dimethylpropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 59743975
5-(3-methylhexan-3-yl)-1H-pyrimidine-2,4-dione
CID 146175218
1,3-Ditert-butyl-5-methylpyrimidine-2,4-dione;1,5-ditert-butylpyridine-2,4-dione
CID 160501446
5-(5-amino-2,4,4-trimethylpentan-2-yl)-1H-pyrimidine-2,4-dione
CID 163966425
5-Hexan-2-yl-1,3-dimethylpyrimidine-2,4-dione
CID 166959196
1,3-Dimethyl-5-propanoylpyrimidine-2,4-dione
CID 28939780
1,3-Dimethyl-5-(2-methylpentanoyl)pyrimidine-2,4-dione
CID 43161180

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione (CID 62678401) is 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione is CCC(C)(C)C(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PRBHWXJAMMVPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-6-12(2,3)9(15)8-7-13(4)11(17)14(5)10(8)16/h7H,6H2,1-5H3.
What are the key properties of 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylbutanoyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 62678401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).