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

C9H16N6O4 — CID 18770501

IUPAC3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.HNO3/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;2-1(3)4/h6,11,15H,1-5,10H2;(H,2,3,4)/b11-9+;
InChIKeyJVXWUOVCPCMWCD-LBEJWNQZSA-N
MW272.26 g/mol
LogP-0.18
Rot. Bonds1

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

3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid (PubChem CID 18770501) has the molecular formula C9H16N6O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid.

Molecular Properties

Compound Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid
PubChem CID18770501
Molecular FormulaC9H16N6O4
Molecular Weight272.26 g/mol
Exact Mass272.12
IUPAC Name3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O
InChIInChI=1S/C9H15N5O.HNO3/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;2-1(3)4/h6,11,15H,1-5,10H2;(H,2,3,4)/b11-9+;
InChIKeyJVXWUOVCPCMWCD-LBEJWNQZSA-N
XLogP-0.18
TPSA154.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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;nitric acid?
The IUPAC name of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid (CID 18770501) is 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid.
What is the SMILES notation for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid?
The canonical SMILES for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid is O=[N+]([O-])O.[H]/N=c1\nc(N2CCCCC2)cc(N)n1O.
What is the InChIKey of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid?
The InChIKey is JVXWUOVCPCMWCD-LBEJWNQZSA-N. The full InChI is InChI=1S/C9H15N5O.HNO3/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13;2-1(3)4/h6,11,15H,1-5,10H2;(H,2,3,4)/b11-9+;.
What are the key properties of 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid?
3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid has a molecular weight of 272.26 g/mol, XLogP of -0.18, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-imino-6-piperidin-1-ylpyrimidin-4-amine;nitric acid is sourced from PubChem (CID 18770501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).