5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C92H105F3N28O7 — CID 157319253

About 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 157319253) has the molecular formula C92H105F3N28O7 and a molecular weight of 1772.03 g/mol. Its IUPAC name is 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 157319253
• Molecular Formula: C92H105F3N28O7
• Molecular Weight: 1772.03 g/mol
• Exact Mass: 1770.87
• IUPAC Name: 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: COCCNc1nc(C)nc2ccn(Cc3ccc(C(F)(F)F)cn3)c12.COCCNc1nc(C)nc2ccn(Cc3cccc(CN4CCCC4)c3)c12.COCCNc1nc(C)nc2ccn(Cc3ccncc3)c12.COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)nc1OC.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccncc2)n1
• InChI: InChI=1S/C22H29N5O.C19H21N7O3.C18H18N6O.C17H18F3N5O.C16H19N5O/c1-17-24-20-8-12-27(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;1-11-8-13(25-29-11)9-21-17-16-14(23-19(20)24-17)6-7-26(16)10-12-4-5-15(27-2)18(22-12)28-3;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;1-11-23-14-5-7-25(15(14)16(24-11)21-6-8-26-2)10-13-4-3-12(9-22-13)17(18,19)20;1-12-19-14-5-9-21(11-13-3-6-17-7-4-13)15(14)16(20-12)18-8-10-22-2/h5-8,12,14H,3-4,9-11,13,15-16H2,1-2H3,(H,23,24,25);4-8H,9-10H2,1-3H3,(H3,20,21,23,24);3-9H,10-11H2,1-2H3,(H,20,21,22);3-5,7,9H,6,8,10H2,1-2H3,(H,21,23,24);3-7,9H,8,10-11H2,1-2H3,(H,18,19,20)
• InChIKey: BDYXOUWRDVPEFO-UHFFFAOYSA-N
• XLogP: 14.42
• TPSA: 392.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1772.03
LogP ≤ 5	14.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 157319253) is 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

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

The canonical SMILES for 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is COCCNc1nc(C)nc2ccn(Cc3ccc(C(F)(F)F)cn3)c12.COCCNc1nc(C)nc2ccn(Cc3cccc(CN4CCCC4)c3)c12.COCCNc1nc(C)nc2ccn(Cc3ccncc3)c12.COc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)nc1OC.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ccncc2)n1.

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

The InChIKey is BDYXOUWRDVPEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O.C19H21N7O3.C18H18N6O.C17H18F3N5O.C16H19N5O/c1-17-24-20-8-12-27(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;1-11-8-13(25-29-11)9-21-17-16-14(23-19(20)24-17)6-7-26(16)10-12-4-5-15(27-2)18(22-12)28-3;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;1-11-23-14-5-7-25(15(14)16(24-11)21-6-8-26-2)10-13-4-3-12(9-22-13)17(18,19)20;1-12-19-14-5-9-21(11-13-3-6-17-7-4-13)15(14)16(20-12)18-8-10-22-2/h5-8,12,14H,3-4,9-11,13,15-16H2,1-2H3,(H,23,24,25);4-8H,9-10H2,1-3H3,(H3,20,21,23,24);3-9H,10-11H2,1-2H3,(H,20,21,22);3-5,7,9H,6,8,10H2,1-2H3,(H,21,23,24);3-7,9H,8,10-11H2,1-2H3,(H,18,19,20).

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

5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1772.03 g/mol, XLogP of 14.42, 32 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-4-ylmethyl)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;N-(2-methoxyethyl)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(pyridin-4-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 157319253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).