5-nitro-6-quinolin-8-yloxypyrimidin-4-amine

C13H9N5O3 — CID 2960477

IUPAC5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
SMILESNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-]
InChIInChI=1S/C13H9N5O3/c14-12-11(18(19)20)13(17-7-16-12)21-9-5-1-3-8-4-2-6-15-10(8)9/h1-7H,(H2,14,16,17)
InChIKeyLZDVMNBOJHUXRA-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.31
Rot. Bonds3

About 5-nitro-6-quinolin-8-yloxypyrimidin-4-amine

5-nitro-6-quinolin-8-yloxypyrimidin-4-amine (PubChem CID 2960477) has the molecular formula C13H9N5O3 and a molecular weight of 283.25 g/mol. Its IUPAC name is 5-nitro-6-quinolin-8-yloxypyrimidin-4-amine.

Molecular Properties

Compound Name5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
PubChem CID2960477
Molecular FormulaC13H9N5O3
Molecular Weight283.25 g/mol
Exact Mass283.07
IUPAC Name5-nitro-6-quinolin-8-yloxypyrimidin-4-amine
SMILESNc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-]
InChIInChI=1S/C13H9N5O3/c14-12-11(18(19)20)13(17-7-16-12)21-9-5-1-3-8-4-2-6-15-10(8)9/h1-7H,(H2,14,16,17)
InChIKeyLZDVMNBOJHUXRA-UHFFFAOYSA-N
XLogP2.31
TPSA117.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-quinolin-8-yloxypyrimidin-4-amine?
The IUPAC name of 5-nitro-6-quinolin-8-yloxypyrimidin-4-amine (CID 2960477) is 5-nitro-6-quinolin-8-yloxypyrimidin-4-amine.
What is the SMILES notation for 5-nitro-6-quinolin-8-yloxypyrimidin-4-amine?
The canonical SMILES for 5-nitro-6-quinolin-8-yloxypyrimidin-4-amine is Nc1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-quinolin-8-yloxypyrimidin-4-amine?
The InChIKey is LZDVMNBOJHUXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O3/c14-12-11(18(19)20)13(17-7-16-12)21-9-5-1-3-8-4-2-6-15-10(8)9/h1-7H,(H2,14,16,17).
What are the key properties of 5-nitro-6-quinolin-8-yloxypyrimidin-4-amine?
5-nitro-6-quinolin-8-yloxypyrimidin-4-amine has a molecular weight of 283.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-quinolin-8-yloxypyrimidin-4-amine is sourced from PubChem (CID 2960477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).