N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

C106H124N32O7S — CID 159584736

About N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine

N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 159584736) has the molecular formula C106H124N32O7S and a molecular weight of 1990.44 g/mol. Its IUPAC name is N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• PubChem CID: 159584736
• Molecular Formula: C106H124N32O7S
• Molecular Weight: 1990.44 g/mol
• Exact Mass: 1989.01
• IUPAC Name: N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine
• SMILES: CCCCNc1nc(C)nc2ccn(Cc3nccs3)c12.COCCNc1nc(C)nc2ccn(Cc3cc(OC)ccn3)c12.COCCNc1nc(C)nc2ccn(Cc3cccc(C)n3)c12.COCCNc1nc(C)nc2ccn(Cc3ccncc3OC)c12.Cc1nc(NCc2cc(C(C)C)on2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2cc(C3CC3)on2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C20H20N6O.C20H22N6O.2C17H21N5O2.C17H21N5O.C15H19N5S/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;1-13(2)18-10-16(25-27-18)11-22-20-19-17(23-14(3)24-20)7-9-26(19)12-15-6-4-5-8-21-15;1-12-20-15-5-8-22(11-13-10-14(24-3)4-6-18-13)16(15)17(21-12)19-7-9-23-2;1-12-20-14-5-8-22(11-13-4-6-18-10-15(13)24-3)16(14)17(21-12)19-7-9-23-2;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;1-3-4-6-17-15-14-12(18-11(2)19-15)5-8-20(14)10-13-16-7-9-21-13/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,22,23,24);4-10,13H,11-12H2,1-3H3,(H,22,23,24);2*4-6,8,10H,7,9,11H2,1-3H3,(H,19,20,21);4-7,9H,8,10-11H2,1-3H3,(H,18,20,21);5,7-9H,3-4,6,10H2,1-2H3,(H,17,18,19)
• InChIKey: MJLVTYNZBBUOCX-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 431.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1990.44
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine (CID 159584736) is N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine.

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

The canonical SMILES for N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is CCCCNc1nc(C)nc2ccn(Cc3nccs3)c12.COCCNc1nc(C)nc2ccn(Cc3cc(OC)ccn3)c12.COCCNc1nc(C)nc2ccn(Cc3cccc(C)n3)c12.COCCNc1nc(C)nc2ccn(Cc3ccncc3OC)c12.Cc1nc(NCc2cc(C(C)C)on2)c2c(ccn2Cc2ccccn2)n1.Cc1nc(NCc2cc(C3CC3)on2)c2c(ccn2Cc2ccccn2)n1.

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

The InChIKey is MJLVTYNZBBUOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O.C20H22N6O.2C17H21N5O2.C17H21N5O.C15H19N5S/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;1-13(2)18-10-16(25-27-18)11-22-20-19-17(23-14(3)24-20)7-9-26(19)12-15-6-4-5-8-21-15;1-12-20-15-5-8-22(11-13-10-14(24-3)4-6-18-13)16(15)17(21-12)19-7-9-23-2;1-12-20-14-5-8-22(11-13-4-6-18-10-15(13)24-3)16(14)17(21-12)19-7-9-23-2;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;1-3-4-6-17-15-14-12(18-11(2)19-15)5-8-20(14)10-13-16-7-9-21-13/h2-4,7-10,14H,5-6,11-12H2,1H3,(H,22,23,24);4-10,13H,11-12H2,1-3H3,(H,22,23,24);2*4-6,8,10H,7,9,11H2,1-3H3,(H,19,20,21);4-7,9H,8,10-11H2,1-3H3,(H,18,20,21);5,7-9H,3-4,6,10H2,1-2H3,(H,17,18,19).

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

N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 1990.44 g/mol, XLogP of 18.07, 38 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-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;N-(2-methoxyethyl)-5-[(3-methoxy-4-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-5-[(4-methoxy-2-pyridinyl)methyl]-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 159584736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).