1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C90H97N31O7S — CID 159445634

About 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 159445634) has the molecular formula C90H97N31O7S and a molecular weight of 1757.04 g/mol. Its IUPAC name is 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 159445634
• Molecular Formula: C90H97N31O7S
• Molecular Weight: 1757.04 g/mol
• Exact Mass: 1755.79
• IUPAC Name: 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: COCCn1ccc2cc(N)cc(NCc3ccc(C)cn3)c21.COc1cc(OC)nc(Cn2ccc3cc(N)cc(NCc4noc(C)n4)c32)n1.COc1ccccc1Cn1ccc2nc(N)nc(NCc3ncc(C)s3)c21.Cc1coc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)n1.Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2ncccn2)n1
• InChI: InChI=1S/C19H21N7O3.C19H20N6OS.C18H18N6O.C18H22N4O.C16H16N8O/c1-11-22-15(25-29-11)9-21-14-7-13(20)6-12-4-5-26(19(12)14)10-16-23-17(27-2)8-18(24-16)28-3;1-12-9-21-16(27-12)10-22-18-17-14(23-19(20)24-18)7-8-25(17)11-13-5-3-4-6-15(13)26-2;1-12-11-25-16(21-12)9-20-18-17-15(22-13(2)23-18)6-8-24(17)10-14-5-3-4-7-19-14;1-13-3-4-16(20-11-13)12-21-17-10-15(19)9-14-5-6-22(18(14)17)7-8-23-2;1-10-20-12-4-7-24(9-14-17-5-3-6-18-14)15(12)16(21-10)19-8-13-22-11(2)25-23-13/h4-8,21H,9-10,20H2,1-3H3;3-9H,10-11H2,1-2H3,(H3,20,22,23,24);3-8,11H,9-10H2,1-2H3,(H,20,22,23);3-6,9-11,21H,7-8,12,19H2,1-2H3;3-7H,8-9H2,1-2H3,(H,19,20,21)
• InChIKey: LSSMUKUQUJYDLQ-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 471.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 29
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1757.04
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The IUPAC name of 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 159445634) is 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is COCCn1ccc2cc(N)cc(NCc3ccc(C)cn3)c21.COc1cc(OC)nc(Cn2ccc3cc(N)cc(NCc4noc(C)n4)c32)n1.COc1ccccc1Cn1ccc2nc(N)nc(NCc3ncc(C)s3)c21.Cc1coc(CNc2nc(C)nc3ccn(Cc4ccccn4)c23)n1.Cc1nc(NCc2noc(C)n2)c2c(ccn2Cc2ncccn2)n1.

What is the InChIKey of 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

The InChIKey is LSSMUKUQUJYDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O3.C19H20N6OS.C18H18N6O.C18H22N4O.C16H16N8O/c1-11-22-15(25-29-11)9-21-14-7-13(20)6-12-4-5-26(19(12)14)10-16-23-17(27-2)8-18(24-16)28-3;1-12-9-21-16(27-12)10-22-18-17-14(23-19(20)24-18)7-8-25(17)11-13-5-3-4-6-15(13)26-2;1-12-11-25-16(21-12)9-20-18-17-15(22-13(2)23-18)6-8-24(17)10-14-5-3-4-7-19-14;1-13-3-4-16(20-11-13)12-21-17-10-15(19)9-14-5-6-22(18(14)17)7-8-23-2;1-10-20-12-4-7-24(9-14-17-5-3-6-18-14)15(12)16(21-10)19-8-13-22-11(2)25-23-13/h4-8,21H,9-10,20H2,1-3H3;3-9H,10-11H2,1-2H3,(H3,20,22,23,24);3-8,11H,9-10H2,1-2H3,(H,20,22,23);3-6,9-11,21H,7-8,12,19H2,1-2H3;3-7H,8-9H2,1-2H3,(H,19,20,21).

What are the key properties of 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine?

1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1757.04 g/mol, XLogP of 13.99, 29 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indole-5,7-diamine;1-(2-methoxyethyl)-7-N-[(5-methyl-2-pyridinyl)methyl]indole-5,7-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyrimidin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(4-methyl-1,3-oxazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 159445634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).