5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine

C19H12N4 — CID 58163128

IUPAC5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine
SMILESc1ccc2c(c1)c1cccc(-c3cncnc3)c1n1ccnc21
InChIInChI=1S/C19H12N4/c1-2-5-17-15(4-1)16-7-3-6-14(13-10-20-12-21-11-13)18(16)23-9-8-22-19(17)23/h1-12H
InChIKeyKCPRRYXPYSZJQK-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.10
Rot. Bonds1

About 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine

5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine (PubChem CID 58163128) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine.

Molecular Properties

Compound Name5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine
PubChem CID58163128
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine
SMILESc1ccc2c(c1)c1cccc(-c3cncnc3)c1n1ccnc21
InChIInChI=1S/C19H12N4/c1-2-5-17-15(4-1)16-7-3-6-14(13-10-20-12-21-11-13)18(16)23-9-8-22-19(17)23/h1-12H
InChIKeyKCPRRYXPYSZJQK-UHFFFAOYSA-N
XLogP4.10
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine?
The IUPAC name of 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine (CID 58163128) is 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine.
What is the SMILES notation for 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine?
The canonical SMILES for 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine is c1ccc2c(c1)c1cccc(-c3cncnc3)c1n1ccnc21.
What is the InChIKey of 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine?
The InChIKey is KCPRRYXPYSZJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c1-2-5-17-15(4-1)16-7-3-6-14(13-10-20-12-21-11-13)18(16)23-9-8-22-19(17)23/h1-12H.
What are the key properties of 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine?
5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine has a molecular weight of 296.33 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrimidin-5-ylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58163128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).