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

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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).