5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione

C13H18N2O4 — CID 134833394

IUPAC5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione
SMILESCC(=O)CCn1cc(C)c(=O)n(CCC(C)=O)c1=O
InChIInChI=1S/C13H18N2O4/c1-9-8-14(6-4-10(2)16)13(19)15(12(9)18)7-5-11(3)17/h8H,4-7H2,1-3H3
InChIKeyPYLUFBPWOCKKFH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.28
Rot. Bonds6

About 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione

5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione (PubChem CID 134833394) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione
PubChem CID134833394
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione
SMILESCC(=O)CCn1cc(C)c(=O)n(CCC(C)=O)c1=O
InChIInChI=1S/C13H18N2O4/c1-9-8-14(6-4-10(2)16)13(19)15(12(9)18)7-5-11(3)17/h8H,4-7H2,1-3H3
InChIKeyPYLUFBPWOCKKFH-UHFFFAOYSA-N
XLogP0.28
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione (CID 134833394) is 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione is CC(=O)CCn1cc(C)c(=O)n(CCC(C)=O)c1=O.
What is the InChIKey of 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione?
The InChIKey is PYLUFBPWOCKKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-8-14(6-4-10(2)16)13(19)15(12(9)18)7-5-11(3)17/h8H,4-7H2,1-3H3.
What are the key properties of 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione?
5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione has a molecular weight of 266.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-bis(3-oxobutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 134833394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).