5-methyl-1H-pyrimidine-2,4-dione;oxalic acid

C7H8N2O6 — CID 163712906

IUPAC5-methyl-1H-pyrimidine-2,4-dione;oxalic acid
SMILESCc1c[nH]c(=O)[nH]c1=O.O=C(O)C(=O)O
InChIInChI=1S/C5H6N2O2.C2H2O4/c1-3-2-6-5(9)7-4(3)8;3-1(4)2(5)6/h2H,1H3,(H2,6,7,8,9);(H,3,4)(H,5,6)
InChIKeyKKVMBPZAIXZOGZ-UHFFFAOYSA-N
MW216.15 g/mol
LogP-1.47
Rot. Bonds

About 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid

5-methyl-1H-pyrimidine-2,4-dione;oxalic acid (PubChem CID 163712906) has the molecular formula C7H8N2O6 and a molecular weight of 216.15 g/mol. Its IUPAC name is 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid.

Molecular Properties

Compound Name5-methyl-1H-pyrimidine-2,4-dione;oxalic acid
PubChem CID163712906
Molecular FormulaC7H8N2O6
Molecular Weight216.15 g/mol
Exact Mass216.04
IUPAC Name5-methyl-1H-pyrimidine-2,4-dione;oxalic acid
SMILESCc1c[nH]c(=O)[nH]c1=O.O=C(O)C(=O)O
InChIInChI=1S/C5H6N2O2.C2H2O4/c1-3-2-6-5(9)7-4(3)8;3-1(4)2(5)6/h2H,1H3,(H2,6,7,8,9);(H,3,4)(H,5,6)
InChIKeyKKVMBPZAIXZOGZ-UHFFFAOYSA-N
XLogP-1.47
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid?
The IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid (CID 163712906) is 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid.
What is the SMILES notation for 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid?
The canonical SMILES for 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid is Cc1c[nH]c(=O)[nH]c1=O.O=C(O)C(=O)O.
What is the InChIKey of 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid?
The InChIKey is KKVMBPZAIXZOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C2H2O4/c1-3-2-6-5(9)7-4(3)8;3-1(4)2(5)6/h2H,1H3,(H2,6,7,8,9);(H,3,4)(H,5,6).
What are the key properties of 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid?
5-methyl-1H-pyrimidine-2,4-dione;oxalic acid has a molecular weight of 216.15 g/mol, XLogP of -1.47, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrimidine-2,4-dione;oxalic acid is sourced from PubChem (CID 163712906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).