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

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 Name: 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
• Molecular Formula: C₂₁H₂₂F₃N₅O
• Molecular Weight: 417.44 g/mol
• Exact Mass: 417.18
• IUPAC Name: N-[(2R)-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: FC(F)(F)c1cc2c(NC3c4ccccc4CC[C@H]3N3CCOCC3)ncnc2[nH]1
• InChI: 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
• InChIKey: WELZLPYDTFITLI-PYUWXLGESA-N
• XLogP: 3.78
• TPSA: 66.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.44
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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).

Sources

• PubChem CID 156838080 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.