1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine

C10H17N5O — CID 22723700

IUPAC1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine
SMILESC/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C10H17N5O/c1-12-8-7-9(13-10(11)15(8)16)14-5-3-2-4-6-14/h7,16H,2-6H2,1H3,(H2,11,13)/b12-8+
InChIKeyRNCMERSCGFEPFB-XYOKQWHBSA-N
MW223.28 g/mol
LogP0.22
Rot. Bonds1

About 1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine

1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 22723700) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID22723700
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine
SMILESC/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C10H17N5O/c1-12-8-7-9(13-10(11)15(8)16)14-5-3-2-4-6-14/h7,16H,2-6H2,1H3,(H2,11,13)/b12-8+
InChIKeyRNCMERSCGFEPFB-XYOKQWHBSA-N
XLogP0.22
TPSA79.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
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-methylimino-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of 1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine (CID 22723700) is 1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine is C/N=c1\cc(N2CCCCC2)nc(N)n1O.
What is the InChIKey of 1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is RNCMERSCGFEPFB-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H17N5O/c1-12-8-7-9(13-10(11)15(8)16)14-5-3-2-4-6-14/h7,16H,2-6H2,1H3,(H2,11,13)/b12-8+.
What are the key properties of 1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine?
1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 223.28 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methylimino-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 22723700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).