4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile

C21H15F2N7 — CID 67511069

IUPAC4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCCc1nnc2ccc(F)cc2c1-c1cccc(F)c1
InChIInChI=1S/C21H15F2N7/c22-13-3-1-2-12(8-13)19-15-9-14(23)4-5-17(15)29-30-18(19)6-7-26-21-16(10-24)20(25)27-11-28-21/h1-5,8-9,11H,6-7H2,(H3,25,26,27,28)
InChIKeyBEMZEDYEOBLBHC-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.47
Rot. Bonds5

About 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile (PubChem CID 67511069) has the molecular formula C21H15F2N7 and a molecular weight of 403.40 g/mol. Its IUPAC name is 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
PubChem CID67511069
Molecular FormulaC21H15F2N7
Molecular Weight403.40 g/mol
Exact Mass403.14
IUPAC Name4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCCc1nnc2ccc(F)cc2c1-c1cccc(F)c1
InChIInChI=1S/C21H15F2N7/c22-13-3-1-2-12(8-13)19-15-9-14(23)4-5-17(15)29-30-18(19)6-7-26-21-16(10-24)20(25)27-11-28-21/h1-5,8-9,11H,6-7H2,(H3,25,26,27,28)
InChIKeyBEMZEDYEOBLBHC-UHFFFAOYSA-N
XLogP3.47
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-6-[2-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627674
4-amino-6-[2-[8-chloro-4-(3-fluorophenyl)quinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 67511387
4-amino-6-[[(1R)-1-(6-fluoro-4-phenylcinnolin-3-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 68907323
4-amino-6-[2-(7-fluoro-4-oxo-3-phenyl-1H-quinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 118627754
2-[2-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-6-fluoroquinoline-3-carboxylic acid
CID 67124206
4-amino-6-[[(1S)-1-[4-(3-cyanophenyl)-6-fluoroquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 68910830
4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67511706
4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67464456
4-amino-6-[2-[1-(3,5-difluorophenyl)-7-fluoro-4-oxo-3-phenylquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 129248493
4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67512024
4-amino-6-[[3-(3-fluorophenyl)indolizin-2-yl]methylamino]pyrimidine-5-carbonitrile
CID 118573159
4-amino-6-[[(1R)-1-[6-fluoro-4-(iodomethoxy)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 89007559

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile (CID 67511069) is 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile is N#Cc1c(N)ncnc1NCCc1nnc2ccc(F)cc2c1-c1cccc(F)c1.
What is the InChIKey of 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is BEMZEDYEOBLBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7/c22-13-3-1-2-12(8-13)19-15-9-14(23)4-5-17(15)29-30-18(19)6-7-26-21-16(10-24)20(25)27-11-28-21/h1-5,8-9,11H,6-7H2,(H3,25,26,27,28).
What are the key properties of 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 403.40 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 67511069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).