5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane

C134H166N36O10S — CID 158595438

About 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane

5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane (PubChem CID 158595438) has the molecular formula C134H166N36O10S and a molecular weight of 2473.11 g/mol. Its IUPAC name is 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane.

Molecular Properties

• Compound Name: 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane
• PubChem CID: 158595438
• Molecular Formula: C134H166N36O10S
• Molecular Weight: 2473.11 g/mol
• Exact Mass: 2471.33
• IUPAC Name: 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane
• SMILES: CCCC(C)Nc1nc(C)nc2ccn(Cc3c(OC)cccc3OC)c12.CCCC[C@@H](CCO)Nc1nc(C)nc2ccn(Cc3c(OC)cccc3OC)c12.COCCNc1nc(C)nc2ccn(Cc3cccc(CN4CCCC4)c3)c12.COCCn1ccc2nc(N)nc(NC(C)c3ccccn3)c21.COc1ccccc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c21.Cc1nc(NC(C)c2ccccn2)c2c(ccn2C)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccncc2)n1.S
• InChI: InChI=1S/C23H32N4O3.C22H29N5O.C21H28N4O2.C19H20N6O2.C18H18N6O.C16H20N6O.C15H17N5.H2S/c1-5-6-8-17(12-14-28)26-23-22-19(24-16(2)25-23)11-13-27(22)15-18-20(29-3)9-7-10-21(18)30-4;1-17-24-20-8-12-27(21(20)22(25-17)23-9-13-28-2)16-19-7-5-6-18(14-19)15-26-10-3-4-11-26;1-6-8-14(2)22-21-20-17(23-15(3)24-21)11-12-25(20)13-16-18(26-4)9-7-10-19(16)27-5;1-12-9-14(24-27-12)10-21-18-17-15(22-19(20)23-18)7-8-25(17)11-13-5-3-4-6-16(13)26-2;1-12-9-15(23-25-12)10-20-18-17-16(21-13(2)22-18)5-8-24(17)11-14-3-6-19-7-4-14;1-11(12-5-3-4-7-18-12)19-15-14-13(20-16(17)21-15)6-8-22(14)9-10-23-2;1-10(12-6-4-5-8-16-12)17-15-14-13(7-9-20(14)3)18-11(2)19-15;/h7,9-11,13,17,28H,5-6,8,12,14-15H2,1-4H3,(H,24,25,26);5-8,12,14H,3-4,9-11,13,15-16H2,1-2H3,(H,23,24,25);7,9-12,14H,6,8,13H2,1-5H3,(H,22,23,24);3-9H,10-11H2,1-2H3,(H3,20,21,22,23);3-9H,10-11H2,1-2H3,(H,20,21,22);3-8,11H,9-10H2,1-2H3,(H3,17,19,20,21);4-10H,1-3H3,(H,17,18,19);1H2/t17-;;;;;;;/m0......./s1
• InChIKey: HUYVMKZHCRCHTB-VJLWYOCBSA-N
• XLogP: 23.26
• TPSA: 530.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 47
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2473.11
LogP ≤ 5	23.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane?

The IUPAC name of 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane (CID 158595438) is 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane.

What is the SMILES notation for 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane?

The canonical SMILES for 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane is CCCC(C)Nc1nc(C)nc2ccn(Cc3c(OC)cccc3OC)c12.CCCC[C@@H](CCO)Nc1nc(C)nc2ccn(Cc3c(OC)cccc3OC)c12.COCCNc1nc(C)nc2ccn(Cc3cccc(CN4CCCC4)c3)c12.COCCn1ccc2nc(N)nc(NC(C)c3ccccn3)c21.COc1ccccc1Cn1ccc2nc(N)nc(NCc3cc(C)on3)c21.Cc1nc(NC(C)c2ccccn2)c2c(ccn2C)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccncc2)n1.S.

What is the InChIKey of 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane?

The InChIKey is HUYVMKZHCRCHTB-VJLWYOCBSA-N. The full InChI is InChI=1S/C23H32N4O3.C22H29N5O.C21H28N4O2.C19H20N6O2.C18H18N6O.C16H20N6O.C15H17N5.H2S/c1-5-6-8-17(12-14-28)26-23-22-19(24-16(2)25-23)11-13-27(22)15-18-20(29-3)9-7-10-21(18)30-4;1-17-24-20-8-12-27(21(20)22(25-17)23-9-13-28-2)16-19-7-5-6-18(14-19)15-26-10-3-4-11-26;1-6-8-14(2)22-21-20-17(23-15(3)24-21)11-12-25(20)13-16-18(26-4)9-7-10-19(16)27-5;1-12-9-14(24-27-12)10-21-18-17-15(22-19(20)23-18)7-8-25(17)11-13-5-3-4-6-16(13)26-2;1-12-9-15(23-25-12)10-20-18-17-16(21-13(2)22-18)5-8-24(17)11-14-3-6-19-7-4-14;1-11(12-5-3-4-7-18-12)19-15-14-13(20-16(17)21-15)6-8-22(14)9-10-23-2;1-10(12-6-4-5-8-16-12)17-15-14-13(7-9-20(14)3)18-11(2)19-15;/h7,9-11,13,17,28H,5-6,8,12,14-15H2,1-4H3,(H,24,25,26);5-8,12,14H,3-4,9-11,13,15-16H2,1-2H3,(H,23,24,25);7,9-12,14H,6,8,13H2,1-5H3,(H,22,23,24);3-9H,10-11H2,1-2H3,(H3,20,21,22,23);3-9H,10-11H2,1-2H3,(H,20,21,22);3-8,11H,9-10H2,1-2H3,(H3,17,19,20,21);4-10H,1-3H3,(H,17,18,19);1H2/t17-;;;;;;;/m0......./s1.

What are the key properties of 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane?

5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane has a molecular weight of 2473.11 g/mol, XLogP of 23.26, 47 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2,6-dimethoxyphenyl)methyl]-2-methyl-N-pentan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;(3S)-3-[[5-[(2,6-dimethoxyphenyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-yl]amino]heptan-1-ol;2,5-dimethyl-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-(1-pyridin-2-ylethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-[(2-methoxyphenyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane is sourced from PubChem (CID 158595438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).