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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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).