5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine

C25H20F2N6 — CID 66805882

IUPAC5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(F)c(F)c3)c3ccccc3nc-2cc1Nc1ncccn1
InChIInChI=1S/C25H20F2N6/c1-15(2)30-21-14-24-22(13-20(21)32-25-28-10-5-11-29-25)31-19-6-3-4-7-23(19)33(24)16-8-9-17(26)18(27)12-16/h3-15H,1-2H3,(H,28,29,32)/b30-21+
InChIKeyILTBUCMHEFHURJ-MWAVMZGNSA-N
MW442.47 g/mol
LogP5.25
Rot. Bonds4

About 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine

5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine (PubChem CID 66805882) has the molecular formula C25H20F2N6 and a molecular weight of 442.47 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine
PubChem CID66805882
Molecular FormulaC25H20F2N6
Molecular Weight442.47 g/mol
Exact Mass442.17
IUPAC Name5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine
SMILESCC(C)/N=c1\cc2n(-c3ccc(F)c(F)c3)c3ccccc3nc-2cc1Nc1ncccn1
InChIInChI=1S/C25H20F2N6/c1-15(2)30-21-14-24-22(13-20(21)32-25-28-10-5-11-29-25)31-19-6-3-4-7-23(19)33(24)16-8-9-17(26)18(27)12-16/h3-15H,1-2H3,(H,28,29,32)/b30-21+
InChIKeyILTBUCMHEFHURJ-MWAVMZGNSA-N
XLogP5.25
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
CID 66806289
5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
CID 66805955
N,5-bis(3,4-dichlorophenyl)-3-propan-2-yliminophenazin-2-amine
CID 635889
3-cyclobutylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805623
3-cyclohexylimino-5-(3,4-difluorophenyl)-N-pyridin-3-ylphenazin-2-amine
CID 66805824
5-(4-fluorophenyl)-N-(6-methoxy-3,4-dihydropyridin-5-yl)-3-propan-2-yliminophenazin-2-amine
CID 68632662
(3E)-5-(3,4-difluorophenyl)-3-(1,2-dimethoxypropan-2-ylimino)-N-pyridin-3-ylphenazin-2-amine
CID 140578172
5-(4-chlorophenyl)-7-fluoro-N-(6-methyl-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
CID 66805789
1-[5-[[3-propan-2-ylimino-5-[4-(trifluoromethyl)phenyl]phenazin-2-yl]amino]-2-pyridinyl]propan-2-one
CID 160716464
5-(3,4-difluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-nitroso-2-pyridinyl)phenazin-2-amine
CID 87160235
3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
CID 68624482
5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805676

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine (CID 66805882) is 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine is CC(C)/N=c1\cc2n(-c3ccc(F)c(F)c3)c3ccccc3nc-2cc1Nc1ncccn1.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine?
The InChIKey is ILTBUCMHEFHURJ-MWAVMZGNSA-N. The full InChI is InChI=1S/C25H20F2N6/c1-15(2)30-21-14-24-22(13-20(21)32-25-28-10-5-11-29-25)31-19-6-3-4-7-23(19)33(24)16-8-9-17(26)18(27)12-16/h3-15H,1-2H3,(H,28,29,32)/b30-21+.
What are the key properties of 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine?
5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine has a molecular weight of 442.47 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-propan-2-ylimino-N-pyrimidin-2-ylphenazin-2-amine is sourced from PubChem (CID 66805882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).