5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine

C15H11N5O2 — CID 91398479

IUPAC5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine
SMILESNc1ncc(-c2cccc([N+](=O)[O-])c2)c(-c2ccccn2)n1
InChIInChI=1S/C15H11N5O2/c16-15-18-9-12(10-4-3-5-11(8-10)20(21)22)14(19-15)13-6-1-2-7-17-13/h1-9H,(H2,16,18,19)
InChIKeyFMIYHIDQJJFQAN-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.70
Rot. Bonds3

About 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine

5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 91398479) has the molecular formula C15H11N5O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID91398479
Molecular FormulaC15H11N5O2
Molecular Weight293.29 g/mol
Exact Mass293.09
IUPAC Name5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine
SMILESNc1ncc(-c2cccc([N+](=O)[O-])c2)c(-c2ccccn2)n1
InChIInChI=1S/C15H11N5O2/c16-15-18-9-12(10-4-3-5-11(8-10)20(21)22)14(19-15)13-6-1-2-7-17-13/h1-9H,(H2,16,18,19)
InChIKeyFMIYHIDQJJFQAN-UHFFFAOYSA-N
XLogP2.70
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.70
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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Related Compounds

4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
5-methyl-4-(3-nitrophenyl)pyrimidin-2-amine
CID 10331419
3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 102423646
3-nitro-4-(3-nitrophenyl)pyridine
CID 26793007
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58278225
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
2-(3-nitrophenyl)pyridine-3-carbaldehyde
CID 2764566
5-[3-(3-nitrophenyl)phenyl]-4-N-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 68912146
5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
CID 175838941
4-nitro-2-pyridin-2-ylbenzenethiol
CID 135604753
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine (CID 91398479) is 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine is Nc1ncc(-c2cccc([N+](=O)[O-])c2)c(-c2ccccn2)n1.
What is the InChIKey of 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is FMIYHIDQJJFQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O2/c16-15-18-9-12(10-4-3-5-11(8-10)20(21)22)14(19-15)13-6-1-2-7-17-13/h1-9H,(H2,16,18,19).
What are the key properties of 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine?
5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 293.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 91398479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).