4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide

C50H71ClF2N22O7S2 — CID 159007301

About 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide

4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide (PubChem CID 159007301) has the molecular formula C50H71ClF2N22O7S2 and a molecular weight of 1229.85 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide
• PubChem CID: 159007301
• Molecular Formula: C50H71ClF2N22O7S2
• Molecular Weight: 1229.85 g/mol
• Exact Mass: 1228.50
• IUPAC Name: 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide
• SMILES: Cc1cc(C)n(-c2cc(Cl)nc(S(C)(=O)=O)n2)n1.Cc1cc(C)n(-c2cc(N3CCNC(C(N)=O)C3)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N3CCNC(C(N)=O)C3)nc(S(C)(=O)=O)n2)n1.NC(=O)C1CNCCN1
• InChI: InChI=1S/C20H28F2N8O.C15H21N7O3S.C10H11ClN4O2S.C5H11N3O/c1-12-9-13(2)30(28-12)17-10-16(29-8-7-24-15(11-29)18(23)31)26-19(27-17)25-14-3-5-20(21,22)6-4-14;1-9-6-10(2)22(20-9)13-7-12(18-15(19-13)26(3,24)25)21-5-4-17-11(8-21)14(16)23;1-6-4-7(2)15(14-6)9-5-8(11)12-10(13-9)18(3,16)17;6-5(9)4-3-7-1-2-8-4/h9-10,14-15,24H,3-8,11H2,1-2H3,(H2,23,31)(H,25,26,27);6-7,11,17H,4-5,8H2,1-3H3,(H2,16,23);4-5H,1-3H3;4,7-8H,1-3H2,(H2,6,9)
• InChIKey: JSBSOZJAFCZXHA-UHFFFAOYSA-N
• XLogP: -0.15
• TPSA: 394.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1229.85
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide?

The IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide (CID 159007301) is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide.

What is the SMILES notation for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide?

The canonical SMILES for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide is Cc1cc(C)n(-c2cc(Cl)nc(S(C)(=O)=O)n2)n1.Cc1cc(C)n(-c2cc(N3CCNC(C(N)=O)C3)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N3CCNC(C(N)=O)C3)nc(S(C)(=O)=O)n2)n1.NC(=O)C1CNCCN1.

What is the InChIKey of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide?

The InChIKey is JSBSOZJAFCZXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N8O.C15H21N7O3S.C10H11ClN4O2S.C5H11N3O/c1-12-9-13(2)30(28-12)17-10-16(29-8-7-24-15(11-29)18(23)31)26-19(27-17)25-14-3-5-20(21,22)6-4-14;1-9-6-10(2)22(20-9)13-7-12(18-15(19-13)26(3,24)25)21-5-4-17-11(8-21)14(16)23;1-6-4-7(2)15(14-6)9-5-8(11)12-10(13-9)18(3,16)17;6-5(9)4-3-7-1-2-8-4/h9-10,14-15,24H,3-8,11H2,1-2H3,(H2,23,31)(H,25,26,27);6-7,11,17H,4-5,8H2,1-3H3,(H2,16,23);4-5H,1-3H3;4,7-8H,1-3H2,(H2,6,9).

What are the key properties of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide?

4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide has a molecular weight of 1229.85 g/mol, XLogP of -0.15, 12 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]piperazine-2-carboxamide;piperazine-2-carboxamide is sourced from PubChem (CID 159007301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).