6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen

C77H101F9N26S3 — CID 159871271

About 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen

6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen (PubChem CID 159871271) has the molecular formula C77H101F9N26S3 and a molecular weight of 1658.02 g/mol. Its IUPAC name is 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen.

Molecular Properties

• Compound Name: 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
• PubChem CID: 159871271
• Molecular Formula: C77H101F9N26S3
• Molecular Weight: 1658.02 g/mol
• Exact Mass: 1656.77
• IUPAC Name: 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen
• SMILES: Cc1cc(Nc2cc(N3CCN(C(C)(C)CF)CC3)nc(Sc3ccc4nc(CC(F)(F)F)n(C)c4c3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCN(C4CC4)CC3)nc(Sc3ccc4nc(CC(F)(F)F)n(C)c4c3)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C(C)(C)CF)CC4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H31F4N9S.C26H30F2N8S.C25H28F3N9S.6H2/c1-16-11-21(36-35-16)32-20-13-22(38-7-9-39(10-8-38)25(2,3)15-27)34-24(33-20)40-17-5-6-18-19(12-17)37(4)23(31-18)14-26(28,29)30;1-16-5-6-18-12-19(13-20(28)24(18)29-16)37-25-31-21(30-22-11-17(2)33-34-22)14-23(32-25)35-7-9-36(10-8-35)26(3,4)15-27;1-15-11-21(34-33-15)30-20-13-22(37-9-7-36(8-10-37)16-3-4-16)32-24(31-20)38-17-5-6-18-19(12-17)35(2)23(29-18)14-25(26,27)28;;;;;;/h5-6,11-13H,7-10,14-15H2,1-4H3,(H2,32,33,34,35,36);5-6,11-14H,7-10,15H2,1-4H3,(H2,30,31,32,33,34);5-6,11-13,16H,3-4,7-10,14H2,1-2H3,(H2,30,31,32,33,34);6*1H
• InChIKey: NSJJNTYMBBAXTF-UHFFFAOYSA-N
• XLogP: 16.69
• TPSA: 267.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1658.02
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen?

The IUPAC name of 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen (CID 159871271) is 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen.

What is the SMILES notation for 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen?

The canonical SMILES for 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen is Cc1cc(Nc2cc(N3CCN(C(C)(C)CF)CC3)nc(Sc3ccc4nc(CC(F)(F)F)n(C)c4c3)n2)n[nH]1.Cc1cc(Nc2cc(N3CCN(C4CC4)CC3)nc(Sc3ccc4nc(CC(F)(F)F)n(C)c4c3)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CCN(C(C)(C)CF)CC4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen?

The InChIKey is NSJJNTYMBBAXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F4N9S.C26H30F2N8S.C25H28F3N9S.6H2/c1-16-11-21(36-35-16)32-20-13-22(38-7-9-39(10-8-38)25(2,3)15-27)34-24(33-20)40-17-5-6-18-19(12-17)37(4)23(31-18)14-26(28,29)30;1-16-5-6-18-12-19(13-20(28)24(18)29-16)37-25-31-21(30-22-11-17(2)33-34-22)14-23(32-25)35-7-9-36(10-8-35)26(3,4)15-27;1-15-11-21(34-33-15)30-20-13-22(37-9-7-36(8-10-37)16-3-4-16)32-24(31-20)38-17-5-6-18-19(12-17)35(2)23(29-18)14-25(26,27)28;;;;;;/h5-6,11-13H,7-10,14-15H2,1-4H3,(H2,32,33,34,35,36);5-6,11-14H,7-10,15H2,1-4H3,(H2,30,31,32,33,34);5-6,11-13,16H,3-4,7-10,14H2,1-2H3,(H2,30,31,32,33,34);6*1H.

What are the key properties of 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen?

6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen has a molecular weight of 1658.02 g/mol, XLogP of 16.69, 22 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-cyclopropylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;6-[4-(1-fluoro-2-methylpropan-2-yl)piperazin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(2,2,2-trifluoroethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;molecular hydrogen is sourced from PubChem (CID 159871271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).