3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride

C9H18ClN5O2 — CID 20840989

IUPAC3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride
SMILESCl.O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.ClH.H2O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;;/h6,11,15H,1-5,10H2;1H;1H2/b11-9+;;
InChIKeyUHCLKTNCTRZKPM-OTBYXNOXSA-N
MW263.73 g/mol
LogP-0.23
Rot. Bonds1

About 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride

3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride (PubChem CID 20840989) has the molecular formula C9H18ClN5O2 and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride
PubChem CID20840989
Molecular FormulaC9H18ClN5O2
Molecular Weight263.73 g/mol
Exact Mass263.11
IUPAC Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride
SMILESCl.O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.ClH.H2O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;;/h6,11,15H,1-5,10H2;1H;1H2/b11-9+;;
InChIKeyUHCLKTNCTRZKPM-OTBYXNOXSA-N
XLogP-0.23
TPSA122.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', '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;hydrate;hydrochloride?
The IUPAC name of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride (CID 20840989) is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride.
What is the SMILES notation for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride?
The canonical SMILES for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride is Cl.O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride?
The InChIKey is UHCLKTNCTRZKPM-OTBYXNOXSA-N. The full InChI is InChI=1S/C9H15N5O.ClH.H2O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;;/h6,11,15H,1-5,10H2;1H;1H2/b11-9+;;.
What are the key properties of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride?
3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride has a molecular weight of 263.73 g/mol, XLogP of -0.23, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;hydrate;hydrochloride is sourced from PubChem (CID 20840989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).