6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine

C19H17FN8O2 — CID 59313016

IUPAC6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
SMILESNc1nc(NCCNc2nc(-c3ccc(F)cc3)cc3nccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H17FN8O2/c20-13-3-1-12(2-4-13)14-11-17-23-9-10-27(17)19(25-14)24-8-7-22-16-6-5-15(28(29)30)18(21)26-16/h1-6,9-11H,7-8H2,(H,24,25)(H3,21,22,26)
InChIKeyGUBTXPIJMJGNEN-UHFFFAOYSA-N
MW408.40 g/mol
LogP2.94
Rot. Bonds7

About 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine

6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine (PubChem CID 59313016) has the molecular formula C19H17FN8O2 and a molecular weight of 408.40 g/mol. Its IUPAC name is 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
PubChem CID59313016
Molecular FormulaC19H17FN8O2
Molecular Weight408.40 g/mol
Exact Mass408.15
IUPAC Name6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine
SMILESNc1nc(NCCNc2nc(-c3ccc(F)cc3)cc3nccn23)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H17FN8O2/c20-13-3-1-12(2-4-13)14-11-17-23-9-10-27(17)19(25-14)24-8-7-22-16-6-5-15(28(29)30)18(21)26-16/h1-6,9-11H,7-8H2,(H,24,25)(H3,21,22,26)
InChIKeyGUBTXPIJMJGNEN-UHFFFAOYSA-N
XLogP2.94
TPSA136.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine?
The IUPAC name of 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine (CID 59313016) is 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine.
What is the SMILES notation for 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine?
The canonical SMILES for 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine is Nc1nc(NCCNc2nc(-c3ccc(F)cc3)cc3nccn23)ccc1[N+](=O)[O-].
What is the InChIKey of 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine?
The InChIKey is GUBTXPIJMJGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN8O2/c20-13-3-1-12(2-4-13)14-11-17-23-9-10-27(17)19(25-14)24-8-7-22-16-6-5-15(28(29)30)18(21)26-16/h1-6,9-11H,7-8H2,(H,24,25)(H3,21,22,26).
What are the key properties of 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine?
6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine has a molecular weight of 408.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[[7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]ethyl]-3-nitropyridine-2,6-diamine is sourced from PubChem (CID 59313016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).