5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C90H91ClN36O5S — CID 163424553

About 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 163424553) has the molecular formula C90H91ClN36O5S and a molecular weight of 1824.48 g/mol. Its IUPAC name is 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 163424553
• Molecular Formula: C90H91ClN36O5S
• Molecular Weight: 1824.48 g/mol
• Exact Mass: 1822.74
• IUPAC Name: 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• SMILES: Cc1cc(CNc2nc(N)nc3ccn(Cc4cccc(CN5CCCC5)c4)c23)no1.Cc1cc(CNc2nc(N)nc3ccn(Cc4cn5ccccc5n4)c23)no1.Cc1cc(CNc2nc(N)nc3ccn(Cc4cscn4)c23)no1.Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4Cl)c23)no1.Nc1nc(NCc2ccon2)c2c(ccn2Cc2ccccn2)n1
• InChI: InChI=1S/C23H27N7O.C19H18N8O.C17H16ClN7O.C16H15N7O.C15H15N7OS/c1-16-11-19(28-31-16)13-25-22-21-20(26-23(24)27-22)7-10-30(21)15-18-6-4-5-17(12-18)14-29-8-2-3-9-29;1-12-8-13(25-28-12)9-21-18-17-15(23-19(20)24-18)5-7-27(17)11-14-10-26-6-3-2-4-16(26)22-14;1-10-7-11(24-26-10)8-21-16-15-13(22-17(19)23-16)4-6-25(15)9-14-12(18)3-2-5-20-14;17-16-20-13-4-7-23(10-12-3-1-2-6-18-12)14(13)15(21-16)19-9-11-5-8-24-22-11;1-9-4-10(21-23-9)5-17-14-13-12(19-15(16)20-14)2-3-22(13)6-11-7-24-8-18-11/h4-7,10-12H,2-3,8-9,13-15H2,1H3,(H3,24,25,26,27);2-8,10H,9,11H2,1H3,(H3,20,21,23,24);2-7H,8-9H2,1H3,(H3,19,21,22,23);1-8H,9-10H2,(H3,17,19,20,21);2-4,7-8H,5-6H2,1H3,(H3,16,17,19,20)
• InChIKey: ALIMMVWZIPGRJM-UHFFFAOYSA-N
• XLogP: 13.69
• TPSA: 533.16 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 27
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1824.48
LogP ≤ 5	13.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 163424553) is 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is Cc1cc(CNc2nc(N)nc3ccn(Cc4cccc(CN5CCCC5)c4)c23)no1.Cc1cc(CNc2nc(N)nc3ccn(Cc4cn5ccccc5n4)c23)no1.Cc1cc(CNc2nc(N)nc3ccn(Cc4cscn4)c23)no1.Cc1cc(CNc2nc(N)nc3ccn(Cc4ncccc4Cl)c23)no1.Nc1nc(NCc2ccon2)c2c(ccn2Cc2ccccn2)n1.

What is the InChIKey of 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is ALIMMVWZIPGRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O.C19H18N8O.C17H16ClN7O.C16H15N7O.C15H15N7OS/c1-16-11-19(28-31-16)13-25-22-21-20(26-23(24)27-22)7-10-30(21)15-18-6-4-5-17(12-18)14-29-8-2-3-9-29;1-12-8-13(25-28-12)9-21-18-17-15(23-19(20)24-18)5-7-27(17)11-14-10-26-6-3-2-4-16(26)22-14;1-10-7-11(24-26-10)8-21-16-15-13(22-17(19)23-16)4-6-25(15)9-14-12(18)3-2-5-20-14;17-16-20-13-4-7-23(10-12-3-1-2-6-18-12)14(13)15(21-16)19-9-11-5-8-24-22-11;1-9-4-10(21-23-9)5-17-14-13-12(19-15(16)20-14)2-3-22(13)6-11-7-24-8-18-11/h4-7,10-12H,2-3,8-9,13-15H2,1H3,(H3,24,25,26,27);2-8,10H,9,11H2,1H3,(H3,20,21,23,24);2-7H,8-9H2,1H3,(H3,19,21,22,23);1-8H,9-10H2,(H3,17,19,20,21);2-4,7-8H,5-6H2,1H3,(H3,16,17,19,20).

What are the key properties of 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1824.48 g/mol, XLogP of 13.69, 27 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chloro-2-pyridinyl)methyl]-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(1,3-thiazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-(1,2-oxazol-3-ylmethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 163424553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).