N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol

C109H113N29O3 — CID 165088802

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol (PubChem CID 165088802) has the molecular formula C109H113N29O3 and a molecular weight of 1877.30 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol.

Molecular Properties

• Compound Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol
• PubChem CID: 165088802
• Molecular Formula: C109H113N29O3
• Molecular Weight: 1877.30 g/mol
• Exact Mass: 1875.96
• IUPAC Name: N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol
• SMILES: Cc1cc2c(N[C@@H](CO)c3ccccc3)ncnc2[nH]1.Cc1cc2c(N[C@@H]3CCCc4ccccc43)ncnc2[nH]1.Cc1cc2c(N[C@@H]3CCc4ccccc43)ncnc2[nH]1.Cc1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1.Cc1cc2c(N[C@H]3CCCc4ccccc43)ncnc2[nH]1.Cc1cc2c(N[C@H]3CCc4ccccc43)ncnc2[nH]1.OC[C@H](Nc1ncnc2nc[nH]c12)c1ccccc1
• InChI: InChI=1S/2C17H18N4.2C16H16N4.2C15H16N4O.C13H13N5O/c2*1-11-9-14-16(20-11)18-10-19-17(14)21-15-8-4-6-12-5-2-3-7-13(12)15;2*1-10-8-13-15(19-10)17-9-18-16(13)20-14-7-6-11-4-2-3-5-12(11)14;2*1-10-7-12-14(18-10)16-9-17-15(12)19-13(8-20)11-5-3-2-4-6-11;19-6-10(9-4-2-1-3-5-9)18-13-11-12(15-7-14-11)16-8-17-13/h2*2-3,5,7,9-10,15H,4,6,8H2,1H3,(H2,18,19,20,21);2*2-5,8-9,14H,6-7H2,1H3,(H2,17,18,19,20);2*2-7,9,13,20H,8H2,1H3,(H2,16,17,18,19);1-5,7-8,10,19H,6H2,(H2,14,15,16,17,18)/t2*15-;2*14-;2*13-;10-/m1010100/s1
• InChIKey: WIWSYNLBFVFILN-ZEPSHOFWSA-N
• XLogP: 20.57
• TPSA: 448.78 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1877.30
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol?

The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol (CID 165088802) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol.

What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol?

The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol is Cc1cc2c(N[C@@H](CO)c3ccccc3)ncnc2[nH]1.Cc1cc2c(N[C@@H]3CCCc4ccccc43)ncnc2[nH]1.Cc1cc2c(N[C@@H]3CCc4ccccc43)ncnc2[nH]1.Cc1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1.Cc1cc2c(N[C@H]3CCCc4ccccc43)ncnc2[nH]1.Cc1cc2c(N[C@H]3CCc4ccccc43)ncnc2[nH]1.OC[C@H](Nc1ncnc2nc[nH]c12)c1ccccc1.

What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol?

The InChIKey is WIWSYNLBFVFILN-ZEPSHOFWSA-N. The full InChI is InChI=1S/2C17H18N4.2C16H16N4.2C15H16N4O.C13H13N5O/c2*1-11-9-14-16(20-11)18-10-19-17(14)21-15-8-4-6-12-5-2-3-7-13(12)15;2*1-10-8-13-15(19-10)17-9-18-16(13)20-14-7-6-11-4-2-3-5-12(11)14;2*1-10-7-12-14(18-10)16-9-17-15(12)19-13(8-20)11-5-3-2-4-6-11;19-6-10(9-4-2-1-3-5-9)18-13-11-12(15-7-14-11)16-8-17-13/h2*2-3,5,7,9-10,15H,4,6,8H2,1H3,(H2,18,19,20,21);2*2-5,8-9,14H,6-7H2,1H3,(H2,17,18,19,20);2*2-7,9,13,20H,8H2,1H3,(H2,16,17,18,19);1-5,7-8,10,19H,6H2,(H2,14,15,16,17,18)/t2*15-;2*14-;2*13-;10-/m1010100/s1.

What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol?

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol has a molecular weight of 1877.30 g/mol, XLogP of 20.57, 20 rotatable bonds, 17 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;6-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;(2R)-2-phenyl-2-(7H-purin-6-ylamino)ethanol is sourced from PubChem (CID 165088802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).