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

C18H29N9O2 — CID 157282950

IUPAC3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.[H]/N=c1\nc(N2CCCCC2)ccn1O
InChIInChI=1S/C9H15N5O.C9H14N4O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;10-9-11-8(4-7-13(9)14)12-5-2-1-3-6-12/h6,11,15H,1-5,10H2;4,7,10,14H,1-3,5-6H2/b11-9+;10-9+
InChIKeyAZWQFVLSLOZAGN-OORDSLGUSA-N
MW403.49 g/mol
LogP0.76
Rot. Bonds2

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

3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine (PubChem CID 157282950) has the molecular formula C18H29N9O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine
PubChem CID157282950
Molecular FormulaC18H29N9O2
Molecular Weight403.49 g/mol
Exact Mass403.24
IUPAC Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine
SMILES[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.[H]/N=c1\nc(N2CCCCC2)ccn1O
InChIInChI=1S/C9H15N5O.C9H14N4O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;10-9-11-8(4-7-13(9)14)12-5-2-1-3-6-12/h6,11,15H,1-5,10H2;4,7,10,14H,1-3,5-6H2/b11-9+;10-9+
InChIKeyAZWQFVLSLOZAGN-OORDSLGUSA-N
XLogP0.76
TPSA156.30 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 50.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

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;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine?
The IUPAC name of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine (CID 157282950) is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine.
What is the SMILES notation for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine?
The canonical SMILES for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine is [H]/N=c1\nc(N2CCCCC2)cc(N)n1O.[H]/N=c1\nc(N2CCCCC2)ccn1O.
What is the InChIKey of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine?
The InChIKey is AZWQFVLSLOZAGN-OORDSLGUSA-N. The full InChI is InChI=1S/C9H15N5O.C9H14N4O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;10-9-11-8(4-7-13(9)14)12-5-2-1-3-6-12/h6,11,15H,1-5,10H2;4,7,10,14H,1-3,5-6H2/b11-9+;10-9+.
What are the key properties of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine?
3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine has a molecular weight of 403.49 g/mol, XLogP of 0.76, 2 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;1-hydroxy-4-piperidin-1-ylpyrimidin-2-imine is sourced from PubChem (CID 157282950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).