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

C9H16N6O — CID 3068564

IUPAC3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCN(C)CC2)cc(N)n1O
InChIInChI=1S/C9H16N6O/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/b11-9+
InChIKeyAJVXORIUPJGFTR-PKNBQFBNSA-N
MW224.27 g/mol
LogP-1.07
Rot. Bonds1

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

3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 3068564) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID3068564
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCN(C)CC2)cc(N)n1O
InChIInChI=1S/C9H16N6O/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/b11-9+
InChIKeyAJVXORIUPJGFTR-PKNBQFBNSA-N
XLogP-1.07
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-1.07
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?
The IUPAC name of 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 3068564) is 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine is [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?
The InChIKey is AJVXORIUPJGFTR-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16N6O/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/b11-9+.
What are the key properties of 3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
3-hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 224.27 g/mol, XLogP of -1.07, 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 is sourced from PubChem (CID 3068564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).