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

C54H52F6N12O — CID 165066176

About 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165066176) has the molecular formula C54H52F6N12O and a molecular weight of 999.08 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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 165066176
• Molecular Formula: C54H52F6N12O
• Molecular Weight: 999.08 g/mol
• Exact Mass: 998.43
• IUPAC Name: 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12.Cc1ccc2c(c1)CCC[C@H]2Nc1ncnc2[nH]c(C(F)(F)F)cc12.c1ccc2c(c1)OCC[C@H]2Nc1ncnc2[nH]c(C3CC3)cc12
• InChI: InChI=1S/2C18H17F3N4.C18H18N4O/c2*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/h2*5-9,14H,2-4H2,1H3,(H2,22,23,24,25);1-4,9-11,14H,5-8H2,(H2,19,20,21,22)/t14-;;14-/m1.1/s1
• InChIKey: RZSHDKSCYAKBTM-LTNYJAFXSA-N
• XLogP: 13.32
• TPSA: 170.03 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	999.08
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165066176) is 6-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C(F)(F)F)cc12.Cc1ccc2c(c1)CCC[C@H]2Nc1ncnc2[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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is RZSHDKSCYAKBTM-LTNYJAFXSA-N. The full InChI is InChI=1S/2C18H17F3N4.C18H18N4O/c2*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/h2*5-9,14H,2-4H2,1H3,(H2,22,23,24,25);1-4,9-11,14H,5-8H2,(H2,19,20,21,22)/t14-;;14-/m1.1/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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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 999.08 g/mol, XLogP of 13.32, 7 rotatable bonds, 6 hydrogen bond donors, and 10 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;N-[(1R)-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;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 165066176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).