N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C21H22F3N5O — CID 156838080

IUPACN-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NC3c4ccccc4CC[C@H]3N3CCOCC3)ncnc2[nH]1
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)17-11-15-19(27-17)25-12-26-20(15)28-18-14-4-2-1-3-13(14)5-6-16(18)29-7-9-30-10-8-29/h1-4,11-12,16,18H,5-10H2,(H2,25,26,27,28)/t16-,18?/m1/s1
InChIKeyWELZLPYDTFITLI-PYUWXLGESA-N
MW417.44 g/mol
LogP3.78
Rot. Bonds3

About N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 156838080) has the molecular formula C21H22F3N5O and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID156838080
Molecular FormulaC21H22F3N5O
Molecular Weight417.44 g/mol
Exact Mass417.18
IUPAC NameN-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)c1cc2c(NC3c4ccccc4CC[C@H]3N3CCOCC3)ncnc2[nH]1
InChIInChI=1S/C21H22F3N5O/c22-21(23,24)17-11-15-19(27-17)25-12-26-20(15)28-18-14-4-2-1-3-13(14)5-6-16(18)29-7-9-30-10-8-29/h1-4,11-12,16,18H,5-10H2,(H2,25,26,27,28)/t16-,18?/m1/s1
InChIKeyWELZLPYDTFITLI-PYUWXLGESA-N
XLogP3.78
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(1S,2S)-2-[(3aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838054
N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156838148
N-[(1R,2S)-2-(oxan-4-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837959
N-[2-[(3aR,8aR)-3a-methyl-3,4,6,7,8,8a-hexahydro-1H-oxepino[3,4-c]pyrrol-2-yl]-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837882
1-[1-[[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]imidazole-4-carbonitrile
CID 156837761
N-[(2S)-2-[(3aR)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]pyrrol-5-yl]-2,3-dihydro-1H-inden-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 163236314
N-[(1R,2R)-2-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168226
6-cyclopropyl-N-[(2S)-6-fluoro-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837913
(Z)-1-[(2S)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]methanimine
CID 163236266
N-[(3R,4S)-3-[(3aS,6aR)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 156837757
N-[(4S)-3-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-3,4-dihydro-2H-chromen-4-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 167482560
6-methyl-N-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174168244

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 156838080) is N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)(F)c1cc2c(NC3c4ccccc4CC[C@H]3N3CCOCC3)ncnc2[nH]1.
What is the InChIKey of N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WELZLPYDTFITLI-PYUWXLGESA-N. The full InChI is InChI=1S/C21H22F3N5O/c22-21(23,24)17-11-15-19(27-17)25-12-26-20(15)28-18-14-4-2-1-3-13(14)5-6-16(18)29-7-9-30-10-8-29/h1-4,11-12,16,18H,5-10H2,(H2,25,26,27,28)/t16-,18?/m1/s1.
What are the key properties of N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 417.44 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 156838080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).