5-nitro-6-piperidin-1-ylpyrimidin-4-amine

C9H13N5O2 — CID 3795743

IUPAC5-nitro-6-piperidin-1-ylpyrimidin-4-amine
SMILESNc1ncnc(N2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N5O2/c10-8-7(14(15)16)9(12-6-11-8)13-4-2-1-3-5-13/h6H,1-5H2,(H2,10,11,12)
InChIKeyMXSKNECAWCKBNI-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.96
Rot. Bonds2

About 5-nitro-6-piperidin-1-ylpyrimidin-4-amine

5-nitro-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 3795743) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 5-nitro-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID3795743
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name5-nitro-6-piperidin-1-ylpyrimidin-4-amine
SMILESNc1ncnc(N2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C9H13N5O2/c10-8-7(14(15)16)9(12-6-11-8)13-4-2-1-3-5-13/h6H,1-5H2,(H2,10,11,12)
InChIKeyMXSKNECAWCKBNI-UHFFFAOYSA-N
XLogP0.96
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of 5-nitro-6-piperidin-1-ylpyrimidin-4-amine (CID 3795743) is 5-nitro-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-nitro-6-piperidin-1-ylpyrimidin-4-amine is Nc1ncnc(N2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is MXSKNECAWCKBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-8-7(14(15)16)9(12-6-11-8)13-4-2-1-3-5-13/h6H,1-5H2,(H2,10,11,12).
What are the key properties of 5-nitro-6-piperidin-1-ylpyrimidin-4-amine?
5-nitro-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 223.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 3795743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).