3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid

C9H17N5O5S — CID 22223456

IUPAC3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.H2O4S/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;1-5(2,3)4/h6,11,15H,1-5,10H2;(H2,1,2,3,4)/b11-9+;
InChIKeySIQJCWMXYDHKIQ-LBEJWNQZSA-N
MW307.33 g/mol
LogP-0.48
Rot. Bonds1

About 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid

3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid (PubChem CID 22223456) has the molecular formula C9H17N5O5S and a molecular weight of 307.33 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid
PubChem CID22223456
Molecular FormulaC9H17N5O5S
Molecular Weight307.33 g/mol
Exact Mass307.10
IUPAC Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.H2O4S/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;1-5(2,3)4/h6,11,15H,1-5,10H2;(H2,1,2,3,4)/b11-9+;
InChIKeySIQJCWMXYDHKIQ-LBEJWNQZSA-N
XLogP-0.48
TPSA165.76 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid?
The IUPAC name of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid (CID 22223456) is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid.
What is the SMILES notation for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid?
The canonical SMILES for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid is O=S(=O)(O)O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid?
The InChIKey is SIQJCWMXYDHKIQ-LBEJWNQZSA-N. The full InChI is InChI=1S/C9H15N5O.H2O4S/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;1-5(2,3)4/h6,11,15H,1-5,10H2;(H2,1,2,3,4)/b11-9+;.
What are the key properties of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid?
3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid has a molecular weight of 307.33 g/mol, XLogP of -0.48, 1 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;sulfuric acid is sourced from PubChem (CID 22223456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).