N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C85H94FN27O5S — CID 157319928

About N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 157319928) has the molecular formula C85H94FN27O5S and a molecular weight of 1624.94 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 157319928
• Molecular Formula: C85H94FN27O5S
• Molecular Weight: 1624.94 g/mol
• Exact Mass: 1623.76
• IUPAC Name: N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: COCCNc1nc(C)nc2ccn(Cc3cccc(C)n3)c12.COCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.COCCNc1nc(C)nc2ccn(Cc3nccs3)c12.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccc2F)n1.Cc1nc(NCc2cc(C3CC3)on2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C20H20N6O.C18H17FN6O.C17H21N5O.C16H19N5O.C14H17N5OS/c1-13-23-17-7-9-26(12-15-4-2-3-8-21-15)19(17)20(24-13)22-11-16-10-18(27-25-16)14-5-6-14;1-11-8-13(24-26-11)9-21-18-17-15(22-12(2)23-18)5-7-25(17)10-16-14(19)4-3-6-20-16;1-12-5-4-6-14(19-12)11-22-9-7-15-16(22)17(18-8-10-23-3)21-13(2)20-15;1-12-19-14-6-9-21(11-13-5-3-4-7-17-13)15(14)16(20-12)18-8-10-22-2;1-10-17-11-3-6-19(9-12-15-5-8-21-12)13(11)14(18-10)16-4-7-20-2/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,22,23,24);3-8H,9-10H2,1-2H3,(H,21,22,23);4-7,9H,8,10-11H2,1-3H3,(H,18,20,21);3-7,9H,8,10-11H2,1-2H3,(H,18,19,20);3,5-6,8H,4,7,9H2,1-2H3,(H,16,17,18)
• InChIKey: BEAREDXXFLHGTI-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 357.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.94
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 157319928) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

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

The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is COCCNc1nc(C)nc2ccn(Cc3cccc(C)n3)c12.COCCNc1nc(C)nc2ccn(Cc3ccccn3)c12.COCCNc1nc(C)nc2ccn(Cc3nccs3)c12.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccc2F)n1.Cc1nc(NCc2cc(C3CC3)on2)c2c(ccn2Cc2ccccn2)n1.

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

The InChIKey is BEAREDXXFLHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.C18H17FN6O.C17H21N5O.C16H19N5O.C14H17N5OS/c1-13-23-17-7-9-26(12-15-4-2-3-8-21-15)19(17)20(24-13)22-11-16-10-18(27-25-16)14-5-6-14;1-11-8-13(24-26-11)9-21-18-17-15(22-12(2)23-18)5-7-25(17)10-16-14(19)4-3-6-20-16;1-12-5-4-6-14(19-12)11-22-9-7-15-16(22)17(18-8-10-23-3)21-13(2)20-15;1-12-19-14-6-9-21(11-13-5-3-4-7-17-13)15(14)16(20-12)18-8-10-22-2;1-10-17-11-3-6-19(9-12-15-5-8-21-12)13(11)14(18-10)16-4-7-20-2/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,22,23,24);3-8H,9-10H2,1-2H3,(H,21,22,23);4-7,9H,8,10-11H2,1-3H3,(H,18,20,21);3-7,9H,8,10-11H2,1-2H3,(H,18,19,20);3,5-6,8H,4,7,9H2,1-2H3,(H,16,17,18).

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

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1624.94 g/mol, XLogP of 13.99, 29 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-fluoro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-(1,3-thiazol-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 157319928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).