N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-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-(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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine

C93H102ClN27O8 — CID 157206851

About N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-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-(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-[(1S)-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-[(4-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-(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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 157206851) has the molecular formula C93H102ClN27O8 and a molecular weight of 1761.47 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-[(4-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-(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-[(1S)-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-[(4-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-(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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 157206851
• Molecular Formula: C93H102ClN27O8
• Molecular Weight: 1761.47 g/mol
• Exact Mass: 1759.81
• IUPAC Name: N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-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-(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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine
• SMILES: CCCCNc1nc(C)nc2ccn(Cc3cccc4c3OCCO4)c12.COCCNc1nc(C)nc2ccn(Cc3cccc4c3OCCO4)c12.COCCn1ccc2nc(N)nc(N[C@@H](C)c3ccccn3)c21.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cc(Cl)ccn2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cn3ccccc3n2)n1
• InChI: InChI=1S/C20H19N7O.C20H24N4O2.C19H22N4O3.C18H17ClN6O.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;1-11-7-14(24-26-11)9-21-18-17-16(22-12(2)23-18)4-6-25(17)10-15-8-13(19)3-5-20-15;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);3-8,11H,9-10H2,1-2H3,(H3,17,19,20,21)/t;;;;11-/m....0/s1
• InChIKey: ARLLFUKCVUKYHH-GAPLDGIQSA-N
• XLogP: 15.71
• TPSA: 390.24 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1761.47
LogP ≤ 5	15.71
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 N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-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-(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-[(1S)-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-[(4-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-(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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 157206851) is N-butyl-5-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpyrrolo[3,2-d]pyrimidin-4-amine;5-[(4-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-(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-[(1S)-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-[(4-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-(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-[(1S)-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-[(4-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-(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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is CCCCNc1nc(C)nc2ccn(Cc3cccc4c3OCCO4)c12.COCCNc1nc(C)nc2ccn(Cc3cccc4c3OCCO4)c12.COCCn1ccc2nc(N)nc(N[C@@H](C)c3ccccn3)c21.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cc(Cl)ccn2)n1.Cc1nc(NCc2cc(C)on2)c2c(ccn2Cc2cn3ccccc3n2)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-[(4-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-(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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is ARLLFUKCVUKYHH-GAPLDGIQSA-N. The full InChI is InChI=1S/C20H19N7O.C20H24N4O2.C19H22N4O3.C18H17ClN6O.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;1-11-7-14(24-26-11)9-21-18-17-16(22-12(2)23-18)4-6-25(17)10-15-8-13(19)3-5-20-15;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);3-8,11H,9-10H2,1-2H3,(H3,17,19,20,21)/t;;;;11-/m....0/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-[(4-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-(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-[(1S)-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-[(4-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-(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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1761.47 g/mol, XLogP of 15.71, 28 rotatable bonds, 6 hydrogen bond donors, and 35 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-[(4-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-(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-[(1S)-1-pyridin-2-ylethyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 157206851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).