4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile

C21H15ClFN7 — CID 67512024

IUPAC4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCCc1cnc2c(Cl)cc(F)cc2c1-c1ccccn1
InChIInChI=1S/C21H15ClFN7/c22-16-8-13(23)7-14-18(17-3-1-2-5-26-17)12(10-28-19(14)16)4-6-27-21-15(9-24)20(25)29-11-30-21/h1-3,5,7-8,10-11H,4,6H2,(H3,25,27,29,30)
InChIKeyNQGARLOUQGBMIP-UHFFFAOYSA-N
MW419.85 g/mol
LogP3.99
Rot. Bonds5

About 4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile

4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 67512024) has the molecular formula C21H15ClFN7 and a molecular weight of 419.85 g/mol. Its IUPAC name is 4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID67512024
Molecular FormulaC21H15ClFN7
Molecular Weight419.85 g/mol
Exact Mass419.11
IUPAC Name4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCCc1cnc2c(Cl)cc(F)cc2c1-c1ccccn1
InChIInChI=1S/C21H15ClFN7/c22-16-8-13(23)7-14-18(17-3-1-2-5-26-17)12(10-28-19(14)16)4-6-27-21-15(9-24)20(25)29-11-30-21/h1-3,5,7-8,10-11H,4,6H2,(H3,25,27,29,30)
InChIKeyNQGARLOUQGBMIP-UHFFFAOYSA-N
XLogP3.99
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-6-[2-[8-chloro-4-(3-fluorophenyl)quinolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 67511387
4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67511706
1-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethanamine
CID 67512321
4-amino-6-[2-[5-chloro-4-fluoro-3-(5-fluoro-3-pyridinyl)-2-methoxyphenyl]ethylamino]pyrimidine-5-carbonitrile
CID 88961949
4-amino-6-[1-(6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67511449
4-amino-6-[2-[6-fluoro-4-(3-fluorophenyl)cinnolin-3-yl]ethylamino]pyrimidine-5-carbonitrile
CID 67511069
2-[2-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-6-fluoroquinoline-3-carboxylic acid
CID 67124206
4-amino-6-[2-[7-fluoro-3-(3-fluorophenyl)-4-oxoquinolizin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118627674
4-amino-6-[2-(7-fluoro-4-oxo-3-phenyl-1H-quinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 118627754
2-(8-chloro-4-pyridin-2-ylquinolin-3-yl)ethanamine
CID 67511829
4-amino-6-[2-(6-fluoro-1-phenylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 67464456
4-amino-6-[2-(7-fluoro-3-methyl-4-oxoquinolizin-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 129248916

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile (CID 67512024) is 4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile is N#Cc1c(N)ncnc1NCCc1cnc2c(Cl)cc(F)cc2c1-c1ccccn1.
What is the InChIKey of 4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is NQGARLOUQGBMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN7/c22-16-8-13(23)7-14-18(17-3-1-2-5-26-17)12(10-28-19(14)16)4-6-27-21-15(9-24)20(25)29-11-30-21/h1-3,5,7-8,10-11H,4,6H2,(H3,25,27,29,30).
What are the key properties of 4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[2-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 419.85 g/mol, XLogP of 3.99, 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-(8-chloro-6-fluoro-4-pyridin-2-ylquinolin-3-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 67512024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).