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

C5H9N2O6P — CID 56684149

IUPAC5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid
SMILESCc1c[nH]c(=O)[nH]c1=O.O=P(O)(O)O
InChIInChI=1S/C5H6N2O2.H3O4P/c1-3-2-6-5(9)7-4(3)8;1-5(2,3)4/h2H,1H3,(H2,6,7,8,9);(H3,1,2,3,4)
InChIKeyZKLKXUYJIUGECX-UHFFFAOYSA-N
MW224.11 g/mol
LogP-1.56
Rot. Bonds

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

5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid (PubChem CID 56684149) has the molecular formula C5H9N2O6P and a molecular weight of 224.11 g/mol. Its IUPAC name is 5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid.

Molecular Properties

Compound Name5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid
PubChem CID56684149
Molecular FormulaC5H9N2O6P
Molecular Weight224.11 g/mol
Exact Mass224.02
IUPAC Name5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid
SMILESCc1c[nH]c(=O)[nH]c1=O.O=P(O)(O)O
InChIInChI=1S/C5H6N2O2.H3O4P/c1-3-2-6-5(9)7-4(3)8;1-5(2,3)4/h2H,1H3,(H2,6,7,8,9);(H3,1,2,3,4)
InChIKeyZKLKXUYJIUGECX-UHFFFAOYSA-N
XLogP-1.56
TPSA143.48 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 5-1.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid?
The IUPAC name of 5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid (CID 56684149) is 5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid.
What is the SMILES notation for 5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid?
The canonical SMILES for 5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid is Cc1c[nH]c(=O)[nH]c1=O.O=P(O)(O)O.
What is the InChIKey of 5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid?
The InChIKey is ZKLKXUYJIUGECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.H3O4P/c1-3-2-6-5(9)7-4(3)8;1-5(2,3)4/h2H,1H3,(H2,6,7,8,9);(H3,1,2,3,4).
What are the key properties of 5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid?
5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid has a molecular weight of 224.11 g/mol, XLogP of -1.56, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-pyrimidine-2,4-dione;phosphoric acid is sourced from PubChem (CID 56684149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).