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

C18H30N10O2 — CID 21217196

IUPAC3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/2C9H15N5O/c2*10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h2*6,11,15H,1-5,10H2/b2*11-9+
InChIKeyFEUKPSVXVTZEIL-YBLOMHCGSA-N
MW418.51 g/mol
LogP0.34
Rot. Bonds2

About 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine

3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 21217196) has the molecular formula C18H30N10O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID21217196
Molecular FormulaC18H30N10O2
Molecular Weight418.51 g/mol
Exact Mass418.26
IUPAC Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/2C9H15N5O/c2*10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h2*6,11,15H,1-5,10H2/b2*11-9+
InChIKeyFEUKPSVXVTZEIL-YBLOMHCGSA-N
XLogP0.34
TPSA182.32 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500418.51
LogP ≤ 50.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine (CID 21217196) is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine is [H]/N=c1\nc(N2CCCCC2)cc(N)n1O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is FEUKPSVXVTZEIL-YBLOMHCGSA-N. The full InChI is InChI=1S/2C9H15N5O/c2*10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h2*6,11,15H,1-5,10H2/b2*11-9+.
What are the key properties of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 418.51 g/mol, XLogP of 0.34, 2 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 21217196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).