5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane

C81H104N30O8S3 — CID 161118596

About 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane

5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane (PubChem CID 161118596) has the molecular formula C81H104N30O8S3 and a molecular weight of 1722.13 g/mol. Its IUPAC name is 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane.

Molecular Properties

• Compound Name: 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane
• PubChem CID: 161118596
• Molecular Formula: C81H104N30O8S3
• Molecular Weight: 1722.13 g/mol
• Exact Mass: 1720.78
• IUPAC Name: 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane
• SMILES: COCCn1ccc2nc(N)nc(NC(C)COC)c21.COC[C@H](C)Nc1nc(C)nc2ccn(Cc3ccccn3)c12.COC[C@H](C)Nc1nc(C)nc2ccn(Cc3csc(C)n3)c12.COc1cc(OC)nc(Cn2ccc3nc(N)nc(NCc4ncc(C)o4)c32)n1.Cc1nc(NCc2nnc(C)o2)c2c(ccn2Cc2ccccn2)n1.S.S
• InChI: InChI=1S/C18H20N8O3.C17H17N7O.C17H21N5O.C16H21N5OS.C13H21N5O2.2H2S/c1-10-7-20-15(29-10)8-21-17-16-11(22-18(19)25-17)4-5-26(16)9-12-23-13(27-2)6-14(24-12)28-3;1-11-20-14-6-8-24(10-13-5-3-4-7-18-13)16(14)17(21-11)19-9-15-23-22-12(2)25-15;1-12(11-23-3)19-17-16-15(20-13(2)21-17)7-9-22(16)10-14-6-4-5-8-18-14;1-10(8-22-4)17-16-15-14(18-11(2)19-16)5-6-21(15)7-13-9-23-12(3)20-13;1-9(8-20-3)15-12-11-10(16-13(14)17-12)4-5-18(11)6-7-19-2;;/h4-7H,8-9H2,1-3H3,(H3,19,21,22,25);3-8H,9-10H2,1-2H3,(H,19,20,21);4-9,12H,10-11H2,1-3H3,(H,19,20,21);5-6,9-10H,7-8H2,1-4H3,(H,17,18,19);4-5,9H,6-8H2,1-3H3,(H3,14,15,16,17);2*1H2/t;;12-;10-;;;/m..00.../s1
• InChIKey: UKQMNUSTGQJUSF-SZJRFUMNSA-N
• XLogP: 11.23
• TPSA: 450.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 31
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1722.13
LogP ≤ 5	11.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane?

The IUPAC name of 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane (CID 161118596) is 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane.

What is the SMILES notation for 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane?

The canonical SMILES for 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane is COCCn1ccc2nc(N)nc(NC(C)COC)c21.COC[C@H](C)Nc1nc(C)nc2ccn(Cc3ccccn3)c12.COC[C@H](C)Nc1nc(C)nc2ccn(Cc3csc(C)n3)c12.COc1cc(OC)nc(Cn2ccc3nc(N)nc(NCc4ncc(C)o4)c32)n1.Cc1nc(NCc2nnc(C)o2)c2c(ccn2Cc2ccccn2)n1.S.S.

What is the InChIKey of 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane?

The InChIKey is UKQMNUSTGQJUSF-SZJRFUMNSA-N. The full InChI is InChI=1S/C18H20N8O3.C17H17N7O.C17H21N5O.C16H21N5OS.C13H21N5O2.2H2S/c1-10-7-20-15(29-10)8-21-17-16-11(22-18(19)25-17)4-5-26(16)9-12-23-13(27-2)6-14(24-12)28-3;1-11-20-14-6-8-24(10-13-5-3-4-7-18-13)16(14)17(21-11)19-9-15-23-22-12(2)25-15;1-12(11-23-3)19-17-16-15(20-13(2)21-17)7-9-22(16)10-14-6-4-5-8-18-14;1-10(8-22-4)17-16-15-14(18-11(2)19-16)5-6-21(15)7-13-9-23-12(3)20-13;1-9(8-20-3)15-12-11-10(16-13(14)17-12)4-5-18(11)6-7-19-2;;/h4-7H,8-9H2,1-3H3,(H3,19,21,22,25);3-8H,9-10H2,1-2H3,(H,19,20,21);4-9,12H,10-11H2,1-3H3,(H,19,20,21);5-6,9-10H,7-8H2,1-4H3,(H,17,18,19);4-5,9H,6-8H2,1-3H3,(H3,14,15,16,17);2*1H2/t;;12-;10-;;;/m..00.../s1.

What are the key properties of 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane?

5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane has a molecular weight of 1722.13 g/mol, XLogP of 11.23, 31 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4,6-dimethoxypyrimidin-2-yl)methyl]-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolo[3,2-d]pyrimidine-2,4-diamine;5-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrrolo[3,2-d]pyrimidine-2,4-diamine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-amine;N-[(2S)-1-methoxypropan-2-yl]-2-methyl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-4-amine;sulfane is sourced from PubChem (CID 161118596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).