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

C10H12N4O4 — CID 160901514

IUPAC6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)[nH]1.Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C5H6N2O2/c2*1-3-2-4(8)7-5(9)6-3/h2*2H,1H3,(H2,6,7,8,9)
InChIKeySPOJJYVGKCRURU-UHFFFAOYSA-N
MW252.23 g/mol
LogP-1.26
Rot. Bonds

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

6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 160901514) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1H-pyrimidine-2,4-dione
PubChem CID160901514
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)[nH]1.Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/2C5H6N2O2/c2*1-3-2-4(8)7-5(9)6-3/h2*2H,1H3,(H2,6,7,8,9)
InChIKeySPOJJYVGKCRURU-UHFFFAOYSA-N
XLogP-1.26
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(113C)methyl-2-sulfanylidene-(4,5,6-13C3)1H-pyrimidin-4-one
CID 169443936
4,6-dimethyl-1H-pyridin-2-one;ethane
CID 91063629
4,6-dimethyl-1H-pyridin-2-one;hydrochloride
CID 142706919
4-chloro-6-methyl-1H-pyridin-2-one
CID 58134605
6-(bromoamino)-1H-pyrimidine-2,4-dione
CID 129114868
2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209
6-(1-chloroethyl)-1H-pyrimidine-2,4-dione
CID 70430271
6-methyl-2-sulfanylidene-1H-pyrimidin-4-one;2,2,3,3-tetrachlorothiirane
CID 21444428
6-(methylaminomethyl)-1H-pyrimidine-2,4-dione
CID 60641297
2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 68620934
6-amino-1H-pyrimidine-2,4-dione;cyclopropane
CID 174382000
3,4-dichloro-6-methyl-1H-pyridin-2-one
CID 119098336

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 160901514) 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.Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is SPOJJYVGKCRURU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6N2O2/c2*1-3-2-4(8)7-5(9)6-3/h2*2H,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 252.23 g/mol, XLogP of -1.26, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 160901514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).