2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine

C105H109Cl6N31O8S4 — CID 159110620

About 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine

2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine (PubChem CID 159110620) has the molecular formula C105H109Cl6N31O8S4 and a molecular weight of 2274.22 g/mol. Its IUPAC name is 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine.

Molecular Properties

• Compound Name: 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine
• PubChem CID: 159110620
• Molecular Formula: C105H109Cl6N31O8S4
• Molecular Weight: 2274.22 g/mol
• Exact Mass: 2269.61
• IUPAC Name: 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine
• SMILES: CC(C)n1cc(N)nn1.CC(C)n1cc(Nc2nc(N[C@@H](C)c3ccccc3)c3cc[nH]c3n2)nn1.C[C@H](N)c1ccccc1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H](C)c4ccccc4)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H](C)c4ccccc4)nc(Nc4cn(C(C)C)nn4)nc32)cc1.Clc1nc(Cl)c2cc[nH]c2n1
• InChI: InChI=1S/C26H28N8O2S.C21H19ClN4O2S.C19H22N8.C13H9Cl2N3O2S.C8H11N.C7H7ClO2S.C6H3Cl2N3.C5H10N4/c1-17(2)33-16-23(31-32-33)28-26-29-24(27-19(4)20-8-6-5-7-9-20)22-14-15-34(25(22)30-26)37(35,36)21-12-10-18(3)11-13-21;1-14-8-10-17(11-9-14)29(27,28)26-13-12-18-19(24-21(22)25-20(18)26)23-15(2)16-6-4-3-5-7-16;1-12(2)27-11-16(25-26-27)22-19-23-17-15(9-10-20-17)18(24-19)21-13(3)14-7-5-4-6-8-14;1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18;1-7(9)8-5-3-2-4-6-8;1-6-2-4-7(5-3-6)11(8,9)10;7-4-3-1-2-9-5(3)11-6(8)10-4;1-4(2)9-3-5(6)7-8-9/h5-17,19H,1-4H3,(H2,27,28,29,30);3-13,15H,1-2H3,(H,23,24,25);4-13H,1-3H3,(H3,20,21,22,23,24);2-7H,1H3;2-7H,9H2,1H3;2-5H,1H3;1-2H,(H,9,10,11);3-4H,6H2,1-2H3/t19-;15-;13-;;7-;;;/m000.0.../s1
• InChIKey: KELAILLQQHTMBR-GSZDHLPFSA-N
• XLogP: 23.53
• TPSA: 516.15 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2274.22
LogP ≤ 5	23.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine?

The IUPAC name of 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine (CID 159110620) is 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine.

What is the SMILES notation for 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine?

The canonical SMILES for 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine is CC(C)n1cc(N)nn1.CC(C)n1cc(Nc2nc(N[C@@H](C)c3ccccc3)c3cc[nH]c3n2)nn1.C[C@H](N)c1ccccc1.Cc1ccc(S(=O)(=O)Cl)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(Cl)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H](C)c4ccccc4)nc(Cl)nc32)cc1.Cc1ccc(S(=O)(=O)n2ccc3c(N[C@@H](C)c4ccccc4)nc(Nc4cn(C(C)C)nn4)nc32)cc1.Clc1nc(Cl)c2cc[nH]c2n1.

What is the InChIKey of 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine?

The InChIKey is KELAILLQQHTMBR-GSZDHLPFSA-N. The full InChI is InChI=1S/C26H28N8O2S.C21H19ClN4O2S.C19H22N8.C13H9Cl2N3O2S.C8H11N.C7H7ClO2S.C6H3Cl2N3.C5H10N4/c1-17(2)33-16-23(31-32-33)28-26-29-24(27-19(4)20-8-6-5-7-9-20)22-14-15-34(25(22)30-26)37(35,36)21-12-10-18(3)11-13-21;1-14-8-10-17(11-9-14)29(27,28)26-13-12-18-19(24-21(22)25-20(18)26)23-15(2)16-6-4-3-5-7-16;1-12(2)27-11-16(25-26-27)22-19-23-17-15(9-10-20-17)18(24-19)21-13(3)14-7-5-4-6-8-14;1-8-2-4-9(5-3-8)21(19,20)18-7-6-10-11(14)16-13(15)17-12(10)18;1-7(9)8-5-3-2-4-6-8;1-6-2-4-7(5-3-6)11(8,9)10;7-4-3-1-2-9-5(3)11-6(8)10-4;1-4(2)9-3-5(6)7-8-9/h5-17,19H,1-4H3,(H2,27,28,29,30);3-13,15H,1-2H3,(H,23,24,25);4-13H,1-3H3,(H3,20,21,22,23,24);2-7H,1H3;2-7H,9H2,1H3;2-5H,1H3;1-2H,(H,9,10,11);3-4H,6H2,1-2H3/t19-;15-;13-;;7-;;;/m000.0.../s1.

What are the key properties of 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine?

2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine has a molecular weight of 2274.22 g/mol, XLogP of 23.53, 24 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;4-methylbenzenesulfonyl chloride;7-(4-methylphenyl)sulfonyl-4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;(1S)-1-phenylethanamine;4-N-[(1S)-1-phenylethyl]-2-N-(1-propan-2-yltriazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;1-propan-2-yltriazol-4-amine is sourced from PubChem (CID 159110620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).