6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)

C73H72F9N17O — CID 165082403

About 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)

6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) (PubChem CID 165082403) has the molecular formula C73H72F9N17O and a molecular weight of 1374.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine).

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)
• PubChem CID: 165082403
• Molecular Formula: C73H72F9N17O
• Molecular Weight: 1374.48 g/mol
• Exact Mass: 1373.60
• IUPAC Name: 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)
• SMILES: CN(C)[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12.Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12.c1ccc2c(c1)OCC[C@H]2Nc1ncnc2[nH]c(C3CC3)cc12
• InChI: InChI=1S/C19H20F3N5.2C18H17F3N4.C18H18N4O/c1-27(2)14-8-7-11-5-3-4-6-12(11)16(14)26-18-13-9-15(19(20,21)22)25-17(13)23-10-24-18;2*1-10-5-6-12-11(7-10)3-2-4-14(12)24-16-13-8-15(18(19,20)21)25-17(13)23-9-22-16;1-2-4-16-12(3-1)14(7-8-23-16)21-17-13-9-15(11-5-6-11)22-18(13)20-10-19-17/h3-6,9-10,14,16H,7-8H2,1-2H3,(H2,23,24,25,26);2*5-9,14H,2-4H2,1H3,(H2,22,23,24,25);1-4,9-11,14H,5-8H2,(H2,19,20,21,22)/t14-,16-;;;14-/m0..1/s1
• InChIKey: VIKPRMUMRJBADV-HCUJZOOVSA-N
• XLogP: 17.33
• TPSA: 226.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1374.48
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)?

The IUPAC name of 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) (CID 165082403) is 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine).

What is the SMILES notation for 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)?

The canonical SMILES for 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) is CN(C)[C@H]1CCc2ccccc2[C@@H]1Nc1ncnc2[nH]c(C(F)(F)F)cc12.Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12.Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12.c1ccc2c(c1)OCC[C@H]2Nc1ncnc2[nH]c(C3CC3)cc12.

What is the InChIKey of 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)?

The InChIKey is VIKPRMUMRJBADV-HCUJZOOVSA-N. The full InChI is InChI=1S/C19H20F3N5.2C18H17F3N4.C18H18N4O/c1-27(2)14-8-7-11-5-3-4-6-12(11)16(14)26-18-13-9-15(19(20,21)22)25-17(13)23-10-24-18;2*1-10-5-6-12-11(7-10)3-2-4-14(12)24-16-13-8-15(18(19,20)21)25-17(13)23-9-22-16;1-2-4-16-12(3-1)14(7-8-23-16)21-17-13-9-15(11-5-6-11)22-18(13)20-10-19-17/h3-6,9-10,14,16H,7-8H2,1-2H3,(H2,23,24,25,26);2*5-9,14H,2-4H2,1H3,(H2,22,23,24,25);1-4,9-11,14H,5-8H2,(H2,19,20,21,22)/t14-,16-;;;14-/m0..1/s1.

What are the key properties of 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine)?

6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) has a molecular weight of 1374.48 g/mol, XLogP of 17.33, 10 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(1S,2S)-2-N,2-N-dimethyl-1-N-[6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1,2,3,4-tetrahydronaphthalene-1,2-diamine;bis(N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine) is sourced from PubChem (CID 165082403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).