N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

C111H123ClN32O10 — CID 158690634

About N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 158690634) has the molecular formula C111H123ClN32O10 and a molecular weight of 2100.87 g/mol. Its IUPAC name is N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 158690634
• Molecular Formula: C111H123ClN32O10
• Molecular Weight: 2100.87 g/mol
• Exact Mass: 2098.98
• IUPAC Name: N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCCCNc1nc(C)nc2ccn(Cc3cccc4c3OCCO4)c12.COCCNc1nc(C)nc2ccn(Cc3cccc4c3OCCO4)c12.COCCNc1nc(N)nc2ccn(Cc3cccc4c3OCC4)c12.COCCn1ccc2nc(N)nc(N[C@H](C)c3ccccn3)c21.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cn3ccccc3n2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccc2Cl)n1
• InChI: InChI=1S/C20H19N7O.C20H24N4O2.C19H22N4O3.C18H17ClN6O.C18H21N5O2.C16H20N6O/c1-13-9-15(25-28-13)10-21-20-19-17(22-14(2)23-20)6-8-27(19)12-16-11-26-7-4-3-5-18(26)24-16;1-3-4-9-21-20-18-16(22-14(2)23-20)8-10-24(18)13-15-6-5-7-17-19(15)26-12-11-25-17;1-13-21-15-6-8-23(17(15)19(22-13)20-7-9-24-2)12-14-4-3-5-16-18(14)26-11-10-25-16;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;1-24-10-7-20-17-15-14(21-18(19)22-17)5-8-23(15)11-13-4-2-3-12-6-9-25-16(12)13;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/h3-9,11H,10,12H2,1-2H3,(H,21,22,23);5-8,10H,3-4,9,11-13H2,1-2H3,(H,21,22,23);3-6,8H,7,9-12H2,1-2H3,(H,20,21,22);3-8H,9-10H2,1-2H3,(H,21,22,23);2-5,8H,6-7,9-11H2,1H3,(H3,19,20,21,22);3-8,11H,9-10H2,1-2H3,(H3,17,19,20,21)/t;;;;;11-/m.....1/s1
• InChIKey: IGHOVWUWYPBTSQ-YPGLAMDESA-N
• XLogP: 17.76
• TPSA: 477.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 42
• Rotatable Bonds: 34
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2100.87
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 158690634) is N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is CCCCNc1nc(C)nc2ccn(Cc3cccc4c3OCCO4)c12.COCCNc1nc(C)nc2ccn(Cc3cccc4c3OCCO4)c12.COCCNc1nc(N)nc2ccn(Cc3cccc4c3OCC4)c12.COCCn1ccc2nc(N)nc(N[C@H](C)c3ccccn3)c21.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cn3ccccc3n2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2ncccc2Cl)n1.

What is the InChIKey of N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is IGHOVWUWYPBTSQ-YPGLAMDESA-N. The full InChI is InChI=1S/C20H19N7O.C20H24N4O2.C19H22N4O3.C18H17ClN6O.C18H21N5O2.C16H20N6O/c1-13-9-15(25-28-13)10-21-20-19-17(22-14(2)23-20)6-8-27(19)12-16-11-26-7-4-3-5-18(26)24-16;1-3-4-9-21-20-18-16(22-14(2)23-20)8-10-24(18)13-15-6-5-7-17-19(15)26-12-11-25-17;1-13-21-15-6-8-23(17(15)19(22-13)20-7-9-24-2)12-14-4-3-5-16-18(14)26-11-10-25-16;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;1-24-10-7-20-17-15-14(21-18(19)22-17)5-8-23(15)11-13-4-2-3-12-6-9-25-16(12)13;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/h3-9,11H,10,12H2,1-2H3,(H,21,22,23);5-8,10H,3-4,9,11-13H2,1-2H3,(H,21,22,23);3-6,8H,7,9-12H2,1-2H3,(H,20,21,22);3-8H,9-10H2,1-2H3,(H,21,22,23);2-5,8H,6-7,9-11H2,1H3,(H3,19,20,21,22);3-8,11H,9-10H2,1-2H3,(H3,17,19,20,21)/t;;;;;11-/m.....1/s1.

What are the key properties of N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?

N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 2100.87 g/mol, XLogP of 17.76, 34 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(3-chloro-2-pyridinyl)methyl]-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-N-(2-methoxyethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4-N-(2-methoxyethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;5-(2-methoxyethyl)-4-N-[(1R)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 158690634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).