N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

C23H20F3N7O — CID 59507725

IUPACN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H20F3N7O/c24-23(25,26)17-10-20(27)29-13-16(17)19-11-21(32-22(31-19)33-5-7-34-8-6-33)30-15-9-14-3-1-2-4-18(14)28-12-15/h1-4,9-13H,5-8H2,(H2,27,29)(H,30,31,32)
InChIKeyLVCJAUJVUSXEMD-UHFFFAOYSA-N
MW467.46 g/mol
LogP4.27
Rot. Bonds4

About N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (PubChem CID 59507725) has the molecular formula C23H20F3N7O and a molecular weight of 467.46 g/mol. Its IUPAC name is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
PubChem CID59507725
Molecular FormulaC23H20F3N7O
Molecular Weight467.46 g/mol
Exact Mass467.17
IUPAC NameN-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C23H20F3N7O/c24-23(25,26)17-10-20(27)29-13-16(17)19-11-21(32-22(31-19)33-5-7-34-8-6-33)30-15-9-14-3-1-2-4-18(14)28-12-15/h1-4,9-13H,5-8H2,(H2,27,29)(H,30,31,32)
InChIKeyLVCJAUJVUSXEMD-UHFFFAOYSA-N
XLogP4.27
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Buparlisib
CID 16654980
Abt-702
CID 1973
N-Ethyl-N'-(4-(4-((3S)-3-methylmorpholin-4-yl)-7-(pyrimidin-2-yl)-5,6,7,8-tetrahydropyrido(3,4-d)pyrimidin-2-yl)phenyl)urea
CID 59239114
Sri-9439
CID 446752
4-[(3-Bromophenyl)amino]6-[(3-morpholinopropyl)amino]pyrido[3,4-d]pyrimidine
CID 5328361
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
4-N-(3-bromophenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328360
4-Anilino quinazoline deriv. 18
CID 5328017
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378051
2-(1-{[2-(2-Aminopyrimidin-5-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
CID 53378053

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (CID 59507725) is N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is Nc1cc(C(F)(F)F)c(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The InChIKey is LVCJAUJVUSXEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N7O/c24-23(25,26)17-10-20(27)29-13-16(17)19-11-21(32-22(31-19)33-5-7-34-8-6-33)30-15-9-14-3-1-2-4-18(14)28-12-15/h1-4,9-13H,5-8H2,(H2,27,29)(H,30,31,32).
What are the key properties of N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine has a molecular weight of 467.46 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 59507725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).