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

C9H15N5O — CID 135743713

IUPAC1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine
SMILES[H]/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,10,15H,1-5H2,(H2,11,12)/b10-7+
InChIKeyIHGXBAMAHRLAOP-JXMROGBWSA-N
MW209.25 g/mol
LogP0.17
Rot. Bonds1

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

1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 135743713) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID135743713
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine
SMILES[H]/N=c1\cc(N2CCCCC2)nc(N)n1O
InChIInChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,10,15H,1-5H2,(H2,11,12)/b10-7+
InChIKeyIHGXBAMAHRLAOP-JXMROGBWSA-N
XLogP0.17
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.17
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 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine (CID 135743713) is 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine is [H]/N=c1\cc(N2CCCCC2)nc(N)n1O.
What is the InChIKey of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is IHGXBAMAHRLAOP-JXMROGBWSA-N. The full InChI is InChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,10,15H,1-5H2,(H2,11,12)/b10-7+.
What are the key properties of 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine?
1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine has a molecular weight of 209.25 g/mol, XLogP of 0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 135743713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).