[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

C44H52F6N12O5 — CID 157124980

IUPAC[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(C3(C(=O)N4CCOCC4)CC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(C3(CN4CCOCC4)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H25F3N6O3.C22H27F3N6O2/c23-22(24,25)15-11-18(26)27-13-14(15)16-12-17(29-20(28-16)31-5-9-34-10-6-31)21(1-2-21)19(32)30-3-7-33-8-4-30;23-22(24,25)16-11-19(26)27-13-15(16)17-12-18(29-20(28-17)31-5-9-33-10-6-31)21(1-2-21)14-30-3-7-32-8-4-30/h11-13H,1-10H2,(H2,26,27);11-13H,1-10,14H2,(H2,26,27)
InChIKeyAIKBMJOHWVYVQO-UHFFFAOYSA-N
MW942.97 g/mol
LogP4.21
Rot. Bonds9

About [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine

[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 157124980) has the molecular formula C44H52F6N12O5 and a molecular weight of 942.97 g/mol. Its IUPAC name is [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID157124980
Molecular FormulaC44H52F6N12O5
Molecular Weight942.97 g/mol
Exact Mass942.41
IUPAC Name[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)c(-c2cc(C3(C(=O)N4CCOCC4)CC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(C3(CN4CCOCC4)CC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H25F3N6O3.C22H27F3N6O2/c23-22(24,25)15-11-18(26)27-13-14(15)16-12-17(29-20(28-16)31-5-9-34-10-6-31)21(1-2-21)19(32)30-3-7-33-8-4-30;23-22(24,25)16-11-19(26)27-13-15(16)17-12-18(29-20(28-17)31-5-9-33-10-6-31)21(1-2-21)14-30-3-7-32-8-4-30/h11-13H,1-10H2,(H2,26,27);11-13H,1-10,14H2,(H2,26,27)
InChIKeyAIKBMJOHWVYVQO-UHFFFAOYSA-N
XLogP4.21
TPSA196.33 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.97
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine with MolForge

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Related Compounds

1-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]piperidin-2-one
CID 59507788
[4-[6-[6-Amino-4-(trifluoromethyl)pyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-yl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 59507957
(E)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]phenyl]-3-cyclopropyl-4,4,4-trifluorobut-2-enamide
CID 66547717
(E)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 66547718
(E)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-3-cyclopropyl-4,4,4-trifluorobut-2-enamide
CID 66547892
(E)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 66548057
(E)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4,4,4-trifluoro-3-methylbut-2-enamide
CID 66548058
(Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4,4,4-trifluoro-3-methylbut-2-enamide
CID 66548059
(E)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 66548060
(Z)-N-[4-[2-[4-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpyridin-4-yl]piperazin-1-yl]-2-oxoethyl]phenyl]-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 66548230
1-[4-[[5-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one
CID 66631964
1-[5,7-Difluoro-3-methyl-4-[(2-morpholin-4-yl-5-pyrimidin-5-yl-4-pyridinyl)amino]quinolin-2-yl]piperidin-2-one
CID 66632424

Frequently Asked Questions

What is the IUPAC name of [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 157124980) is [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)c(-c2cc(C3(C(=O)N4CCOCC4)CC3)nc(N3CCOCC3)n2)cn1.Nc1cc(C(F)(F)F)c(-c2cc(C3(CN4CCOCC4)CC3)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AIKBMJOHWVYVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3.C22H27F3N6O2/c23-22(24,25)15-11-18(26)27-13-14(15)16-12-17(29-20(28-16)31-5-9-34-10-6-31)21(1-2-21)19(32)30-3-7-33-8-4-30;23-22(24,25)16-11-19(26)27-13-15(16)17-12-18(29-20(28-17)31-5-9-33-10-6-31)21(1-2-21)14-30-3-7-32-8-4-30/h11-13H,1-10H2,(H2,26,27);11-13H,1-10,14H2,(H2,26,27).
What are the key properties of [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine?
[1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 942.97 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]cyclopropyl]-morpholin-4-ylmethanone;5-[2-morpholin-4-yl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 157124980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).