4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

C79H101N23O15S4 — CID 164959314

About 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (PubChem CID 164959314) has the molecular formula C79H101N23O15S4 and a molecular weight of 1741.09 g/mol. Its IUPAC name is 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• PubChem CID: 164959314
• Molecular Formula: C79H101N23O15S4
• Molecular Weight: 1741.09 g/mol
• Exact Mass: 1739.67
• IUPAC Name: 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
• SMILES: CCCNc1nc(Nc2ccc(S(C)(=O)=O)cc2OC)nc2[nH]cc(C)c12.CCNc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)nc2[nH]cc(C)c12.CNc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)nc2[nH]cc(C)c12.COc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc(NC2CCC2)c2c(C)c[nH]c2n1
• InChI: InChI=1S/C22H28N6O4S.C20H26N6O4S.C19H24N6O4S.C18H23N5O3S/c1-14-13-23-20-19(14)21(24-15-4-3-5-15)27-22(26-20)25-17-7-6-16(12-18(17)31-2)33(29,30)28-8-10-32-11-9-28;1-4-21-18-17-13(2)12-22-19(17)25-20(24-18)23-15-6-5-14(11-16(15)29-3)31(27,28)26-7-9-30-10-8-26;1-12-11-21-18-16(12)17(20-2)23-19(24-18)22-14-5-4-13(10-15(14)28-3)30(26,27)25-6-8-29-9-7-25;1-5-8-19-16-15-11(2)10-20-17(15)23-18(22-16)21-13-7-6-12(27(4,24)25)9-14(13)26-3/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H3,23,24,25,26,27);5-6,11-12H,4,7-10H2,1-3H3,(H3,21,22,23,24,25);4-5,10-11H,6-9H2,1-3H3,(H3,20,21,22,23,24);6-7,9-10H,5,8H2,1-4H3,(H3,19,20,21,22,23)
• InChIKey: BPMZANQFLRDMNB-UHFFFAOYSA-N
• XLogP: 10.80
• TPSA: 473.41 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1741.09
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The IUPAC name of 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine (CID 164959314) is 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is CCCNc1nc(Nc2ccc(S(C)(=O)=O)cc2OC)nc2[nH]cc(C)c12.CCNc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)nc2[nH]cc(C)c12.CNc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2OC)nc2[nH]cc(C)c12.COc1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1nc(NC2CCC2)c2c(C)c[nH]c2n1.

What is the InChIKey of 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

The InChIKey is BPMZANQFLRDMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4S.C20H26N6O4S.C19H24N6O4S.C18H23N5O3S/c1-14-13-23-20-19(14)21(24-15-4-3-5-15)27-22(26-20)25-17-7-6-16(12-18(17)31-2)33(29,30)28-8-10-32-11-9-28;1-4-21-18-17-13(2)12-22-19(17)25-20(24-18)23-15-6-5-14(11-16(15)29-3)31(27,28)26-7-9-30-10-8-26;1-12-11-21-18-16(12)17(20-2)23-19(24-18)22-14-5-4-13(10-15(14)28-3)30(26,27)25-6-8-29-9-7-25;1-5-8-19-16-15-11(2)10-20-17(15)23-18(22-16)21-13-7-6-12(27(4,24)25)9-14(13)26-3/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H3,23,24,25,26,27);5-6,11-12H,4,7-10H2,1-3H3,(H3,21,22,23,24,25);4-5,10-11H,6-9H2,1-3H3,(H3,20,21,22,23,24);6-7,9-10H,5,8H2,1-4H3,(H3,19,20,21,22,23).

What are the key properties of 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine?

4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 1741.09 g/mol, XLogP of 10.80, 27 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-cyclobutyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-ethyl-2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-propyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-4-N,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 164959314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).