4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C89H90N38O4S — CID 163645881

About 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 163645881) has the molecular formula C89H90N38O4S and a molecular weight of 1788.03 g/mol. Its IUPAC name is 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• PubChem CID: 163645881
• Molecular Formula: C89H90N38O4S
• Molecular Weight: 1788.03 g/mol
• Exact Mass: 1786.77
• IUPAC Name: 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
• SMILES: Cc1cc(CNc2nc(N)nc3ccn(Cc4cn(-c5ccccc5)nn4)c23)no1.Cc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)nc1.Cc1nc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)c(C)o1.Cc1nc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)cs1.Cc1nc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1
• InChI: InChI=1S/C20H19N9O.2C18H19N7O.C17H17N7S.C16H16N8O/c1-13-9-14(26-30-13)10-22-19-18-17(23-20(21)24-19)7-8-28(18)11-15-12-29(27-25-15)16-5-3-2-4-6-16;1-11-3-4-13(20-8-11)10-25-6-5-15-16(25)17(23-18(19)22-15)21-9-14-7-12(2)26-24-14;1-11-15(22-12(2)26-11)9-21-17-16-14(23-18(19)24-17)6-8-25(16)10-13-5-3-4-7-20-13;1-11-21-13(10-25-11)8-20-16-15-14(22-17(18)23-16)5-7-24(15)9-12-4-2-3-6-19-12;1-10-20-13(23-25-10)8-19-15-14-12(21-16(17)22-15)5-7-24(14)9-11-4-2-3-6-18-11/h2-9,12H,10-11H2,1H3,(H3,21,22,23,24);3-8H,9-10H2,1-2H3,(H3,19,21,22,23);3-8H,9-10H2,1-2H3,(H3,19,21,23,24);2-7,10H,8-9H2,1H3,(H3,18,20,22,23);2-7H,8-9H2,1H3,(H3,17,19,21,22)
• InChIKey: IIEHOGOPFSBYGU-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 555.97 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 26
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1788.03
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 163645881) is 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is Cc1cc(CNc2nc(N)nc3ccn(Cc4cn(-c5ccccc5)nn4)c23)no1.Cc1ccc(Cn2ccc3nc(N)nc(NCc4cc(C)on4)c32)nc1.Cc1nc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)c(C)o1.Cc1nc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)cs1.Cc1nc(CNc2nc(N)nc3ccn(Cc4ccccn4)c23)no1.

What is the InChIKey of 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

The InChIKey is IIEHOGOPFSBYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9O.2C18H19N7O.C17H17N7S.C16H16N8O/c1-13-9-14(26-30-13)10-22-19-18-17(23-20(21)24-19)7-8-28(18)11-15-12-29(27-25-15)16-5-3-2-4-6-16;1-11-3-4-13(20-8-11)10-25-6-5-15-16(25)17(23-18(19)22-15)21-9-14-7-12(2)26-24-14;1-11-15(22-12(2)26-11)9-21-17-16-14(23-18(19)24-17)6-8-25(16)10-13-5-3-4-7-20-13;1-11-21-13(10-25-11)8-20-16-15-14(22-17(18)23-16)5-7-24(15)9-12-4-2-3-6-19-12;1-10-20-13(23-25-10)8-19-15-14-12(21-16(17)22-15)5-7-24(14)9-11-4-2-3-6-18-11/h2-9,12H,10-11H2,1H3,(H3,21,22,23,24);3-8H,9-10H2,1-2H3,(H3,19,21,22,23);3-8H,9-10H2,1-2H3,(H3,19,21,23,24);2-7,10H,8-9H2,1H3,(H3,18,20,22,23);2-7H,8-9H2,1H3,(H3,17,19,21,22).

What are the key properties of 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?

4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 1788.03 g/mol, XLogP of 12.49, 26 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(5-methyl-2-pyridinyl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-[(1-phenyltriazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 163645881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).