2-methyl-1H-pyrimidine-4,6-dione

C5H6N2O2 — CID 580924

IUPAC2-methyl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9)
InChIKeyGNVCKXIBBIIFPE-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.55
Rot. Bonds

About 2-methyl-1H-pyrimidine-4,6-dione

2-methyl-1H-pyrimidine-4,6-dione (PubChem CID 580924) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 2-methyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2-methyl-1H-pyrimidine-4,6-dione
PubChem CID580924
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name2-methyl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9)
InChIKeyGNVCKXIBBIIFPE-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(Trifluoromethyl)pyrimidine-4,6(1H,5H)-dione
CID 59343554
2-(Difluoromethyl)pyrimidine-4,6(1H,5H)-dione
CID 59343580
3-methyl-5-oxo-2H-1,2,4-triazine-6-carboxamide
CID 135444356
2-Methyl-1,4-dihydropyrimidine-5,6-dione
CID 21139506
5-fluoro-2-methyl-1H-pyrimidine-4,6-dione
CID 77520036
2-(5-fluoro-4,6-dioxo-1H-pyrimidin-2-yl)acetamide
CID 84074890
CID 78314301
CID 78314301
2-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 19432054
2-ethyl-1H-pyrimidine-4,6-dione
CID 23031994
2,5-dimethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 55287748
2-tert-butyl-1H-pyrimidine-4,6-dione
CID 58907282
2-ethyl-4,5-dihydro-1H-pyrimidin-6-one
CID 69298206

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2-methyl-1H-pyrimidine-4,6-dione (CID 580924) is 2-methyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2-methyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2-methyl-1H-pyrimidine-4,6-dione is CC1=NC(=O)CC(=O)N1.
What is the InChIKey of 2-methyl-1H-pyrimidine-4,6-dione?
The InChIKey is GNVCKXIBBIIFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9).
What are the key properties of 2-methyl-1H-pyrimidine-4,6-dione?
2-methyl-1H-pyrimidine-4,6-dione has a molecular weight of 126.11 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 580924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).