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

C25H23FN8O — CID 67511706

IUPAC4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCCc1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1
InChIInChI=1S/C25H23FN8O/c26-16-4-5-19-17(13-16)23(34-9-11-35-12-10-34)22(20-3-1-2-7-29-20)21(33-19)6-8-30-25-18(14-27)24(28)31-15-32-25/h1-5,7,13,15H,6,8-12H2,(H3,28,30,31,32)
InChIKeyMVPIHVJTDBFEGC-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.17
Rot. Bonds6

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

4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 67511706) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID67511706
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1NCCc1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1
InChIInChI=1S/C25H23FN8O/c26-16-4-5-19-17(13-16)23(34-9-11-35-12-10-34)22(20-3-1-2-7-29-20)21(33-19)6-8-30-25-18(14-27)24(28)31-15-32-25/h1-5,7,13,15H,6,8-12H2,(H3,28,30,31,32)
InChIKeyMVPIHVJTDBFEGC-UHFFFAOYSA-N
XLogP3.17
TPSA125.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Abt-702
CID 1973
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
2-(ethoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 9983112
5-(2-Bromo-benzyl)-7-(6-morpholin-4-yl-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10005239
2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10367774
2-(isopropoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030052
2-((2,6-dimethylmorpholino)methyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 22030066
2-(isopropoxymethyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(6-(trifluoromethyl)pyridin-3-yl)quinazolin-4-amine
CID 22030187
2-(((2S,6R)-2,6-dimethylmorpholino)methyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 44587857
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methoxyethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872835
4-Amino-6-[1-[6-fluoro-4-(2-hydroxyethylamino)-3-phenylquinolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 49872924

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile (CID 67511706) is 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile is N#Cc1c(N)ncnc1NCCc1nc2ccc(F)cc2c(N2CCOCC2)c1-c1ccccn1.
What is the InChIKey of 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is MVPIHVJTDBFEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c26-16-4-5-19-17(13-16)23(34-9-11-35-12-10-34)22(20-3-1-2-7-29-20)21(33-19)6-8-30-25-18(14-27)24(28)31-15-32-25/h1-5,7,13,15H,6,8-12H2,(H3,28,30,31,32).
What are the key properties of 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile?
4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 470.51 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-(6-fluoro-4-morpholin-4-yl-3-pyridin-2-ylquinolin-2-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 67511706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).