6-methyl-5H-pyrimidine-2,4-dione

C5H6N2O2 — CID 23422125

IUPAC6-methyl-5H-pyrimidine-2,4-dione
SMILESCC1=NC(=O)NC(=O)C1
InChIInChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H2,1H3,(H,7,8,9)
InChIKeyZQJZILBCZOOCLT-UHFFFAOYSA-N
MW126.11 g/mol
LogP0.09
Rot. Bonds

About 6-methyl-5H-pyrimidine-2,4-dione

6-methyl-5H-pyrimidine-2,4-dione (PubChem CID 23422125) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 6-methyl-5H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5H-pyrimidine-2,4-dione
PubChem CID23422125
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name6-methyl-5H-pyrimidine-2,4-dione
SMILESCC1=NC(=O)NC(=O)C1
InChIInChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H2,1H3,(H,7,8,9)
InChIKeyZQJZILBCZOOCLT-UHFFFAOYSA-N
XLogP0.09
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5H-pyrimidine-2,4-dione (CID 23422125) is 6-methyl-5H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5H-pyrimidine-2,4-dione is CC1=NC(=O)NC(=O)C1.
What is the InChIKey of 6-methyl-5H-pyrimidine-2,4-dione?
The InChIKey is ZQJZILBCZOOCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H2,1H3,(H,7,8,9).
What are the key properties of 6-methyl-5H-pyrimidine-2,4-dione?
6-methyl-5H-pyrimidine-2,4-dione has a molecular weight of 126.11 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5H-pyrimidine-2,4-dione is sourced from PubChem (CID 23422125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).