4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide

C72H100ClF4N25O10S3 — CID 158164639

About 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide

4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide (PubChem CID 158164639) has the molecular formula C72H100ClF4N25O10S3 and a molecular weight of 1683.40 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide
• PubChem CID: 158164639
• Molecular Formula: C72H100ClF4N25O10S3
• Molecular Weight: 1683.40 g/mol
• Exact Mass: 1681.69
• IUPAC Name: 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide
• SMILES: CSc1nc(Cl)cc(-n2nc(C)cc2C)n1.CSc1nc(N2CCOC(C(N)=O)C2)cc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2cc(N3CCOC(C(N)=O)C3)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N3CCOC(C(N)=O)C3)nc(S(C)(=O)=O)n2)n1.NC(=O)C1CCCCO1.NC1CCC(F)(F)CC1
• InChI: InChI=1S/C20H27F2N7O2.C15H20N6O4S.C15H20N6O2S.C10H11ClN4S.C6H11F2N.C6H11NO2/c1-12-9-13(2)29(27-12)17-10-16(28-7-8-31-15(11-28)18(23)30)25-19(26-17)24-14-3-5-20(21,22)6-4-14;1-9-6-10(2)21(19-9)13-7-12(17-15(18-13)26(3,23)24)20-4-5-25-11(8-20)14(16)22;1-9-6-10(2)21(19-9)13-7-12(17-15(18-13)24-3)20-4-5-23-11(8-20)14(16)22;1-6-4-7(2)15(14-6)9-5-8(11)12-10(13-9)16-3;7-6(8)3-1-5(9)2-4-6;7-6(8)5-3-1-2-4-9-5/h9-10,14-15H,3-8,11H2,1-2H3,(H2,23,30)(H,24,25,26);6-7,11H,4-5,8H2,1-3H3,(H2,16,22);6-7,11H,4-5,8H2,1-3H3,(H2,16,22);4-5H,1-3H3;5H,1-4,9H2;5H,1-4H2,(H2,7,8)
• InChIKey: FWRQTNZIBCPLJQ-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 465.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 16
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1683.40
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide?

The IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide (CID 158164639) is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide.

What is the SMILES notation for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide?

The canonical SMILES for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide is CSc1nc(Cl)cc(-n2nc(C)cc2C)n1.CSc1nc(N2CCOC(C(N)=O)C2)cc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2cc(N3CCOC(C(N)=O)C3)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(N3CCOC(C(N)=O)C3)nc(S(C)(=O)=O)n2)n1.NC(=O)C1CCCCO1.NC1CCC(F)(F)CC1.

What is the InChIKey of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide?

The InChIKey is FWRQTNZIBCPLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N7O2.C15H20N6O4S.C15H20N6O2S.C10H11ClN4S.C6H11F2N.C6H11NO2/c1-12-9-13(2)29(27-12)17-10-16(28-7-8-31-15(11-28)18(23)30)25-19(26-17)24-14-3-5-20(21,22)6-4-14;1-9-6-10(2)21(19-9)13-7-12(17-15(18-13)26(3,23)24)20-4-5-25-11(8-20)14(16)22;1-9-6-10(2)21(19-9)13-7-12(17-15(18-13)24-3)20-4-5-23-11(8-20)14(16)22;1-6-4-7(2)15(14-6)9-5-8(11)12-10(13-9)16-3;7-6(8)3-1-5(9)2-4-6;7-6(8)5-3-1-2-4-9-5/h9-10,14-15H,3-8,11H2,1-2H3,(H2,23,30)(H,24,25,26);6-7,11H,4-5,8H2,1-3H3,(H2,16,22);6-7,11H,4-5,8H2,1-3H3,(H2,16,22);4-5H,1-3H3;5H,1-4,9H2;5H,1-4H2,(H2,7,8).

What are the key properties of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide?

4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide has a molecular weight of 1683.40 g/mol, XLogP of 6.24, 16 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]morpholine-2-carboxamide;4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]morpholine-2-carboxamide;oxane-2-carboxamide is sourced from PubChem (CID 158164639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).