3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride

C9H18Cl2N6O — CID 3068563

IUPAC3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.[H]/N=c1\nc(N2CCN(C)CC2)cc(N)n1O
InChIInChI=1S/C9H16N6O.2ClH/c1-13-2-4-14(5-3-13)8-6-7(10)15(16)9(11)12-8;;/h6,11,16H,2-5,10H2,1H3;2*1H/b11-9+;;
InChIKeySSSFPRLPXBYLGE-OTBYXNOXSA-N
MW297.19 g/mol
LogP-0.22
Rot. Bonds1

About 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride

3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride (PubChem CID 3068563) has the molecular formula C9H18Cl2N6O and a molecular weight of 297.19 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride
PubChem CID3068563
Molecular FormulaC9H18Cl2N6O
Molecular Weight297.19 g/mol
Exact Mass296.09
IUPAC Name3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride
SMILESCl.Cl.[H]/N=c1\nc(N2CCN(C)CC2)cc(N)n1O
InChIInChI=1S/C9H16N6O.2ClH/c1-13-2-4-14(5-3-13)8-6-7(10)15(16)9(11)12-8;;/h6,11,16H,2-5,10H2,1H3;2*1H/b11-9+;;
InChIKeySSSFPRLPXBYLGE-OTBYXNOXSA-N
XLogP-0.22
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
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-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride (CID 3068563) is 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride is Cl.Cl.[H]/N=c1\nc(N2CCN(C)CC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride?
The InChIKey is SSSFPRLPXBYLGE-OTBYXNOXSA-N. The full InChI is InChI=1S/C9H16N6O.2ClH/c1-13-2-4-14(5-3-13)8-6-7(10)15(16)9(11)12-8;;/h6,11,16H,2-5,10H2,1H3;2*1H/b11-9+;;.
What are the key properties of 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride?
3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride has a molecular weight of 297.19 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 3068563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).