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

C9H15ClN5O- — CID 23163100

IUPAC3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride
SMILES[Cl-].[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.ClH/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;/h6,11,15H,1-5,10H2;1H/p-1/b11-9+;
InChIKeyZVKNZHNATYIRMV-LBEJWNQZSA-M
MW244.71 g/mol
LogP-2.82
Rot. Bonds1

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

3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride (PubChem CID 23163100) has the molecular formula C9H15ClN5O- and a molecular weight of 244.71 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride
PubChem CID23163100
Molecular FormulaC9H15ClN5O-
Molecular Weight244.71 g/mol
Exact Mass244.10
IUPAC Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride
SMILES[Cl-].[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.ClH/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;/h6,11,15H,1-5,10H2;1H/p-1/b11-9+;
InChIKeyZVKNZHNATYIRMV-LBEJWNQZSA-M
XLogP-2.82
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.71
LogP ≤ 5-2.82
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 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride?
The IUPAC name of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride (CID 23163100) is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride.
What is the SMILES notation for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride?
The canonical SMILES for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride is [Cl-].[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride?
The InChIKey is ZVKNZHNATYIRMV-LBEJWNQZSA-M. The full InChI is InChI=1S/C9H15N5O.ClH/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;/h6,11,15H,1-5,10H2;1H/p-1/b11-9+;.
What are the key properties of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride?
3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine chloride has a molecular weight of 244.71 g/mol, XLogP of -2.82, 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 chloride is sourced from PubChem (CID 23163100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).