N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C113H118N28O — CID 165019829

About N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 165019829) has the molecular formula C113H118N28O and a molecular weight of 1884.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 165019829
• Molecular Formula: C113H118N28O
• Molecular Weight: 1884.38 g/mol
• Exact Mass: 1883.00
• IUPAC Name: N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: Cc1cc2c(NC(C)(C)c3ccccc3)ncnc2[nH]1.Cc1cc2c(NC(C)c3ccccc3)ncnc2[nH]1.Cc1cc2c(NC3(c4ccccc4)CC3)ncnc2[nH]1.Cc1cc2c(NC3CCCc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3CCc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3COc4ccccc43)ncnc2[nH]1.Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C)cc12
• InChI: InChI=1S/C18H20N4.C17H18N4.2C16H16N4.C16H18N4.C15H14N4O.C15H16N4/c1-11-6-7-14-13(8-11)4-3-5-16(14)22-18-15-9-12(2)21-17(15)19-10-20-18;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;1-10-8-13-15(19-10)17-9-18-16(13)20-14-7-6-11-4-2-3-5-12(11)14;1-11-9-13-14(19-11)17-10-18-15(13)20-16(7-8-16)12-5-3-2-4-6-12;1-11-9-13-14(19-11)17-10-18-15(13)20-16(2,3)12-7-5-4-6-8-12;1-9-6-11-14(18-9)16-8-17-15(11)19-12-7-20-13-5-3-2-4-10(12)13;1-10-8-13-14(18-10)16-9-17-15(13)19-11(2)12-6-4-3-5-7-12/h6-10,16H,3-5H2,1-2H3,(H2,19,20,21,22);2-3,5,7,9-10,15H,4,6,8H2,1H3,(H2,18,19,20,21);2-5,8-9,14H,6-7H2,1H3,(H2,17,18,19,20);2-6,9-10H,7-8H2,1H3,(H2,17,18,19,20);4-10H,1-3H3,(H2,17,18,19,20);2-6,8,12H,7H2,1H3,(H2,16,17,18,19);3-9,11H,1-2H3,(H2,16,17,18,19)
• InChIKey: KZLUVKAWYIZXSF-UHFFFAOYSA-N
• XLogP: 24.42
• TPSA: 384.43 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1884.38
LogP ≤ 5	24.42
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 165019829) is N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(NC(C)(C)c3ccccc3)ncnc2[nH]1.Cc1cc2c(NC(C)c3ccccc3)ncnc2[nH]1.Cc1cc2c(NC3(c4ccccc4)CC3)ncnc2[nH]1.Cc1cc2c(NC3CCCc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3CCc4ccccc43)ncnc2[nH]1.Cc1cc2c(NC3COc4ccccc43)ncnc2[nH]1.Cc1ccc2c(c1)CCCC2Nc1ncnc2[nH]c(C)cc12.

What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is KZLUVKAWYIZXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4.C17H18N4.2C16H16N4.C16H18N4.C15H14N4O.C15H16N4/c1-11-6-7-14-13(8-11)4-3-5-16(14)22-18-15-9-12(2)21-17(15)19-10-20-18;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;1-10-8-13-15(19-10)17-9-18-16(13)20-14-7-6-11-4-2-3-5-12(11)14;1-11-9-13-14(19-11)17-10-18-15(13)20-16(7-8-16)12-5-3-2-4-6-12;1-11-9-13-14(19-11)17-10-18-15(13)20-16(2,3)12-7-5-4-6-8-12;1-9-6-11-14(18-9)16-8-17-15(11)19-12-7-20-13-5-3-2-4-10(12)13;1-10-8-13-14(18-10)16-9-17-15(13)19-11(2)12-6-4-3-5-7-12/h6-10,16H,3-5H2,1-2H3,(H2,19,20,21,22);2-3,5,7,9-10,15H,4,6,8H2,1H3,(H2,18,19,20,21);2-5,8-9,14H,6-7H2,1H3,(H2,17,18,19,20);2-6,9-10H,7-8H2,1H3,(H2,17,18,19,20);4-10H,1-3H3,(H2,17,18,19,20);2-6,8,12H,7H2,1H3,(H2,16,17,18,19);3-9,11H,1-2H3,(H2,16,17,18,19).

What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1884.38 g/mol, XLogP of 24.42, 17 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1-benzofuran-3-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;N-(2,3-dihydro-1H-inden-1-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylcyclopropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(2-phenylpropan-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165019829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).