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

C5H6N2O2 — CID 12283

IUPAC6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKeySHVCSCWHWMSGTE-UHFFFAOYSA-N
MW126.11 g/mol
LogP-0.63
Rot. Bonds

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

6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 12283) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1H-pyrimidine-2,4-dione
PubChem CID12283
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
InChIKeySHVCSCWHWMSGTE-UHFFFAOYSA-N
XLogP-0.63
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Aminouracil
CID 70120
6-Formyluracil
CID 70951
6-Ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 246001
6-(Chloromethyl)-2,4(1H,3H)-pyrimidinedione
CID 73273
5-Amino-6-methylpyrimidine-2,4-diol
CID 80453
5-Iodo-6-methyluracil
CID 319986
6-(Trifluoromethyl)uracil
CID 233890
2,4(1H,3H)-Pyrimidinedione, 3,6-dimethyl-
CID 88193
6-Ethynyluracil
CID 126347
3-tert-Butyl-6-methyluracil
CID 81065
6-vinylpyrimidine-2,4(1H,3H)-dione
CID 44361993
5-Fluoro-6-methylpyrimidine-2,4(1h,3h)-dione
CID 233893

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-1H-pyrimidine-2,4-dione (CID 12283) is 6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is SHVCSCWHWMSGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9).
What are the key properties of 6-methyl-1H-pyrimidine-2,4-dione?
6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 126.11 g/mol, XLogP of -0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).