2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen

C92H112Cl3N31O10S5 — CID 157353255

About 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen

2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen (PubChem CID 157353255) has the molecular formula C92H112Cl3N31O10S5 and a molecular weight of 2078.81 g/mol. Its IUPAC name is 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
• PubChem CID: 157353255
• Molecular Formula: C92H112Cl3N31O10S5
• Molecular Weight: 2078.81 g/mol
• Exact Mass: 2075.69
• IUPAC Name: 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen
• SMILES: CC(=O)NCCCS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.CN(C)CCCS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.NS(=O)(=O)c1cccc(-c2ncc(O)c(Nc3cc(C4CC4)[nH]n3)n2)c1.Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C21H23ClN6O3S.C21H25ClN6O2S.C18H19ClN6O2S2.C16H17N7.C16H16N6O3S.6H2/c1-13(29)23-8-3-9-32(30,31)16-5-2-4-15(10-16)20-24-12-17(22)21(26-20)25-19-11-18(27-28-19)14-6-7-14;1-28(2)9-4-10-31(29,30)16-6-3-5-15(11-16)20-23-13-17(22)21(25-20)24-19-12-18(26-27-19)14-7-8-14;19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-3-4-11)14-5-6-16(28-14)29(26,27)25-7-1-2-8-25;17-11-2-1-3-12(8-11)19-16-18-7-6-14(21-16)20-15-9-13(22-23-15)10-4-5-10;17-26(24,25)11-3-1-2-10(6-11)15-18-8-13(23)16(20-15)19-14-7-12(21-22-14)9-4-5-9;;;;;;/h2,4-5,10-12,14H,3,6-9H2,1H3,(H,23,29)(H2,24,25,26,27,28);3,5-6,11-14H,4,7-10H2,1-2H3,(H2,23,24,25,26,27);5-6,9-11H,1-4,7-8H2,(H2,20,21,22,23,24);1-3,6-10H,4-5,17H2,(H3,18,19,20,21,22,23);1-3,6-9,23H,4-5H2,(H2,17,24,25)(H2,18,19,20,21,22);6*1H
• InChIKey: BHTWYNUUVVRULV-UHFFFAOYSA-N
• XLogP: 17.76
• TPSA: 588.89 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Rotatable Bonds: 34
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2078.81
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?

The IUPAC name of 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen (CID 157353255) is 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen.

What is the SMILES notation for 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?

The canonical SMILES for 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen is CC(=O)NCCCS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.CN(C)CCCS(=O)(=O)c1cccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)c1.NS(=O)(=O)c1cccc(-c2ncc(O)c(Nc3cc(C4CC4)[nH]n3)n2)c1.Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1.O=S(=O)(c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1)N1CCCC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?

The InChIKey is BHTWYNUUVVRULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O3S.C21H25ClN6O2S.C18H19ClN6O2S2.C16H17N7.C16H16N6O3S.6H2/c1-13(29)23-8-3-9-32(30,31)16-5-2-4-15(10-16)20-24-12-17(22)21(26-20)25-19-11-18(27-28-19)14-6-7-14;1-28(2)9-4-10-31(29,30)16-6-3-5-15(11-16)20-23-13-17(22)21(25-20)24-19-12-18(26-27-19)14-7-8-14;19-12-10-20-18(22-17(12)21-15-9-13(23-24-15)11-3-4-11)14-5-6-16(28-14)29(26,27)25-7-1-2-8-25;17-11-2-1-3-12(8-11)19-16-18-7-6-14(21-16)20-15-9-13(22-23-15)10-4-5-10;17-26(24,25)11-3-1-2-10(6-11)15-18-8-13(23)16(20-15)19-14-7-12(21-22-14)9-4-5-9;;;;;;/h2,4-5,10-12,14H,3,6-9H2,1H3,(H,23,29)(H2,24,25,26,27,28);3,5-6,11-14H,4,7-10H2,1-2H3,(H2,23,24,25,26,27);5-6,9-11H,1-4,7-8H2,(H2,20,21,22,23,24);1-3,6-10H,4-5,17H2,(H3,18,19,20,21,22,23);1-3,6-9,23H,4-5H2,(H2,17,24,25)(H2,18,19,20,21,22);6*1H.

What are the key properties of 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen?

2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen has a molecular weight of 2078.81 g/mol, XLogP of 17.76, 34 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3-aminophenyl)-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine;N-[3-[3-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]sulfonylpropyl]acetamide;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[3-[3-(dimethylamino)propylsulfonyl]phenyl]pyrimidin-4-amine;5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)pyrimidin-4-amine;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-hydroxypyrimidin-2-yl]benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157353255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).