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

C8H18Cl2N6O2 — CID 6448182

IUPAC3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride
SMILESCl.Cl.O.[H]/N=c1\nc(N2CCNCC2)cc(N)n1O
InChIInChI=1S/C8H14N6O.2ClH.H2O/c9-6-5-7(12-8(10)14(6)15)13-3-1-11-2-4-13;;;/h5,10-11,15H,1-4,9H2;2*1H;1H2/b10-8+;;;
InChIKeyXRPIEPKBPLYOIV-WDMODZRLSA-N
MW301.18 g/mol
LogP-1.39
Rot. Bonds1

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

3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride (PubChem CID 6448182) has the molecular formula C8H18Cl2N6O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride
PubChem CID6448182
Molecular FormulaC8H18Cl2N6O2
Molecular Weight301.18 g/mol
Exact Mass300.09
IUPAC Name3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride
SMILESCl.Cl.O.[H]/N=c1\nc(N2CCNCC2)cc(N)n1O
InChIInChI=1S/C8H14N6O.2ClH.H2O/c9-6-5-7(12-8(10)14(6)15)13-3-1-11-2-4-13;;;/h5,10-11,15H,1-4,9H2;2*1H;1H2/b10-8+;;;
InChIKeyXRPIEPKBPLYOIV-WDMODZRLSA-N
XLogP-1.39
TPSA134.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride?
The IUPAC name of 3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride (CID 6448182) is 3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride.
What is the SMILES notation for 3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride?
The canonical SMILES for 3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride is Cl.Cl.O.[H]/N=c1\nc(N2CCNCC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride?
The InChIKey is XRPIEPKBPLYOIV-WDMODZRLSA-N. The full InChI is InChI=1S/C8H14N6O.2ClH.H2O/c9-6-5-7(12-8(10)14(6)15)13-3-1-11-2-4-13;;;/h5,10-11,15H,1-4,9H2;2*1H;1H2/b10-8+;;;.
What are the key properties of 3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride?
3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride has a molecular weight of 301.18 g/mol, XLogP of -1.39, 1 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-imino-6-piperazin-1-ylpyrimidin-4-amine;hydrate;dihydrochloride is sourced from PubChem (CID 6448182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).