1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid

C7H12N2O6S — CID 173195646

IUPAC1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid
SMILESCc1ccn(CCO)c(=O)n1.O=S(=O)(O)O
InChIInChI=1S/C7H10N2O2.H2O4S/c1-6-2-3-9(4-5-10)7(11)8-6;1-5(2,3)4/h2-3,10H,4-5H2,1H3;(H2,1,2,3,4)
InChIKeyINJDYQHLBYALAI-UHFFFAOYSA-N
MW252.25 g/mol
LogP-1.11
Rot. Bonds2

About 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid

1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid (PubChem CID 173195646) has the molecular formula C7H12N2O6S and a molecular weight of 252.25 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid
PubChem CID173195646
Molecular FormulaC7H12N2O6S
Molecular Weight252.25 g/mol
Exact Mass252.04
IUPAC Name1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid
SMILESCc1ccn(CCO)c(=O)n1.O=S(=O)(O)O
InChIInChI=1S/C7H10N2O2.H2O4S/c1-6-2-3-9(4-5-10)7(11)8-6;1-5(2,3)4/h2-3,10H,4-5H2,1H3;(H2,1,2,3,4)
InChIKeyINJDYQHLBYALAI-UHFFFAOYSA-N
XLogP-1.11
TPSA129.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid?
The IUPAC name of 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid (CID 173195646) is 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid.
What is the SMILES notation for 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid?
The canonical SMILES for 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid is Cc1ccn(CCO)c(=O)n1.O=S(=O)(O)O.
What is the InChIKey of 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid?
The InChIKey is INJDYQHLBYALAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.H2O4S/c1-6-2-3-9(4-5-10)7(11)8-6;1-5(2,3)4/h2-3,10H,4-5H2,1H3;(H2,1,2,3,4).
What are the key properties of 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid?
1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid has a molecular weight of 252.25 g/mol, XLogP of -1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-4-methylpyrimidin-2-one;sulfuric acid is sourced from PubChem (CID 173195646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).