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

C9H17Cl2N5O — CID 69304311

IUPAC3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.2ClH/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;;/h6,11,15H,1-5,10H2;2*1H/b11-9+;;
InChIKeyMOOCIWFWBNVTKS-OTBYXNOXSA-N
MW282.17 g/mol
LogP1.02
Rot. Bonds1

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

3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride (PubChem CID 69304311) has the molecular formula C9H17Cl2N5O and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride
PubChem CID69304311
Molecular FormulaC9H17Cl2N5O
Molecular Weight282.17 g/mol
Exact Mass281.08
IUPAC Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.2ClH/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;;/h6,11,15H,1-5,10H2;2*1H/b11-9+;;
InChIKeyMOOCIWFWBNVTKS-OTBYXNOXSA-N
XLogP1.02
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 51.02
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;dihydrochloride?
The IUPAC name of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride (CID 69304311) is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride is Cl.Cl.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride?
The InChIKey is MOOCIWFWBNVTKS-OTBYXNOXSA-N. The full InChI is InChI=1S/C9H15N5O.2ClH/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;;/h6,11,15H,1-5,10H2;2*1H/b11-9+;;.
What are the key properties of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride?
3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 1.02, 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;dihydrochloride is sourced from PubChem (CID 69304311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).