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

C9H16ClN5O — CID 162230951

IUPAC1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride
SMILESCl.[H]/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C9H15N5O.ClH/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;/h6,10,15H,1-5H2,(H2,11,12);1H/b10-7+;
InChIKeyQNNRNTUUQDIHIO-HCUGZAAXSA-N
MW245.71 g/mol
LogP0.59
Rot. Bonds1

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

1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride (PubChem CID 162230951) has the molecular formula C9H16ClN5O and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride
PubChem CID162230951
Molecular FormulaC9H16ClN5O
Molecular Weight245.71 g/mol
Exact Mass245.10
IUPAC Name1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride
SMILESCl.[H]/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C9H15N5O.ClH/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;/h6,10,15H,1-5H2,(H2,11,12);1H/b10-7+;
InChIKeyQNNRNTUUQDIHIO-HCUGZAAXSA-N
XLogP0.59
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.59
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 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride?
The IUPAC name of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride (CID 162230951) is 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride is Cl.[H]/N=c1\cc(N2CCCCC2)nc(N)n1O.
What is the InChIKey of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride?
The InChIKey is QNNRNTUUQDIHIO-HCUGZAAXSA-N. The full InChI is InChI=1S/C9H15N5O.ClH/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;/h6,10,15H,1-5H2,(H2,11,12);1H/b10-7+;.
What are the key properties of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride?
1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 162230951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).