N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

C22H19F3N8O — CID 59507892

IUPACN-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C22H19F3N8O/c23-22(24,25)19-15(12-28-20(26)32-19)17-10-18(31-21(30-17)33-5-7-34-8-6-33)29-14-9-13-3-1-2-4-16(13)27-11-14/h1-4,9-12H,5-8H2,(H2,26,28,32)(H,29,30,31)
InChIKeyFPTHADCMMLSUJU-UHFFFAOYSA-N
MW468.44 g/mol
LogP3.66
Rot. Bonds4

About N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine

N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (PubChem CID 59507892) has the molecular formula C22H19F3N8O and a molecular weight of 468.44 g/mol. Its IUPAC name is N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.

Molecular Properties

Compound NameN-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
PubChem CID59507892
Molecular FormulaC22H19F3N8O
Molecular Weight468.44 g/mol
Exact Mass468.16
IUPAC NameN-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1
InChIInChI=1S/C22H19F3N8O/c23-22(24,25)19-15(12-28-20(26)32-19)17-10-18(31-21(30-17)33-5-7-34-8-6-33)29-14-9-13-3-1-2-4-16(13)27-11-14/h1-4,9-12H,5-8H2,(H2,26,28,32)(H,29,30,31)
InChIKeyFPTHADCMMLSUJU-UHFFFAOYSA-N
XLogP3.66
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The IUPAC name of N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine (CID 59507892) is N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine.
What is the SMILES notation for N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The canonical SMILES for N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is Nc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(C(F)(F)F)n1.
What is the InChIKey of N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
The InChIKey is FPTHADCMMLSUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N8O/c23-22(24,25)19-15(12-28-20(26)32-19)17-10-18(31-21(30-17)33-5-7-34-8-6-33)29-14-9-13-3-1-2-4-16(13)27-11-14/h1-4,9-12H,5-8H2,(H2,26,28,32)(H,29,30,31).
What are the key properties of N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine?
N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine has a molecular weight of 468.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]quinolin-3-amine is sourced from PubChem (CID 59507892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).