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

C9H15N5O — CID 4201

IUPAC3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2/b11-9+
InChIKeyZIMGGGWCDYVHOY-PKNBQFBNSA-N
MW209.25 g/mol
LogP0.17
Rot. Bonds1

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

3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 4201) has the molecular formula C9H15N5O and a molecular weight of 209.25 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 CID4201
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2/b11-9+
InChIKeyZIMGGGWCDYVHOY-PKNBQFBNSA-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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Related Compounds

1,6-Dihydro-6-imino-4-(1-piperidinyl)-1-(sulfooxy)-2-pyrimidinamine
CID 138113345
Pyrrolidinyl diaminopyrimidine oxide
CID 15556995
(6-Amino-2-imino-4-piperidin-1-ylpyrimidin-1-yl) hydrogen sulfate
CID 4219798
6-Amino-4-((1,4'-bipiperidin)-1'-yl)-2-iminopyrimidin-1(2H)-ol--hydrogen chloride (1/2)
CID 3068550
2,6-Diamino-4-(piperidin-1-yl)pyrimidine 1-oxide sulfate
CID 22223456
6-amino-2-imino-4-(piperidin-1-yl)pyrimidin-1(2H)-ol
CID 135743713
3-Hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 3068564
2,4-Pyrimidinediamine, 5-fluoro-6-(1-piperidinyl)-, 3-oxide
CID 11564847
N4,N4-Dipropyl-1-oxy-pyrimidine-2,4,6-triamine
CID 23274327
5-Fluoro-1-hydroxy-6-imino-4-piperidin-1-ylpyrimidin-2-amine
CID 153275335
3-Hydroxy-2-imino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-amine
CID 3068551
4-N,4-N-diethyl-1-hydroxy-2-iminopyrimidine-4,6-diamine
CID 12436753

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 4201) 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.
What is the InChIKey of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ZIMGGGWCDYVHOY-PKNBQFBNSA-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/h6,11,15H,1-5,10H2/b11-9+.
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 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 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 4201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).