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

C63H91ClF4N26O6S3 — CID 161066110

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

2-aminopropanamide;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]amino]propanamide (PubChem CID 161066110) has the molecular formula C63H91ClF4N26O6S3 and a molecular weight of 1516.24 g/mol. Its IUPAC name is 2-aminopropanamide;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]amino]propanamide.

Molecular Properties

• Compound Name: 2-aminopropanamide;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]amino]propanamide
• PubChem CID: 161066110
• Molecular Formula: C63H91ClF4N26O6S3
• Molecular Weight: 1516.24 g/mol
• Exact Mass: 1514.64
• IUPAC Name: 2-aminopropanamide;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]amino]propanamide
• SMILES: CC(N)C(N)=O.CSc1nc(Cl)cc(-n2nc(C)cc2C)n1.CSc1nc(NC(C)C(N)=O)cc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2cc(NC(C)C(N)=O)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(NC(C)C(N)=O)nc(S(C)(=O)=O)n2)n1.NC1CCC(F)(F)CC1
• InChI: InChI=1S/C18H25F2N7O.C13H18N6O3S.C13H18N6OS.C10H11ClN4S.C6H11F2N.C3H8N2O/c1-10-8-11(2)27(26-10)15-9-14(22-12(3)16(21)28)24-17(25-15)23-13-4-6-18(19,20)7-5-13;1-7-5-8(2)19(18-7)11-6-10(15-9(3)12(14)20)16-13(17-11)23(4,21)22;1-7-5-8(2)19(18-7)11-6-10(15-9(3)12(14)20)16-13(17-11)21-4;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;1-2(4)3(5)6/h8-9,12-13H,4-7H2,1-3H3,(H2,21,28)(H2,22,23,24,25);5-6,9H,1-4H3,(H2,14,20)(H,15,16,17);5-6,9H,1-4H3,(H2,14,20)(H,15,16,17);4-5H,1-3H3;5H,1-4,9H2;2H,4H2,1H3,(H2,5,6)
• InChIKey: UEAUEDOERLDKOW-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 481.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1516.24
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 2-aminopropanamide;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]amino]propanamide (CID 161066110) is 2-aminopropanamide;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]amino]propanamide.

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

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

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

The InChIKey is UEAUEDOERLDKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N7O.C13H18N6O3S.C13H18N6OS.C10H11ClN4S.C6H11F2N.C3H8N2O/c1-10-8-11(2)27(26-10)15-9-14(22-12(3)16(21)28)24-17(25-15)23-13-4-6-18(19,20)7-5-13;1-7-5-8(2)19(18-7)11-6-10(15-9(3)12(14)20)16-13(17-11)23(4,21)22;1-7-5-8(2)19(18-7)11-6-10(15-9(3)12(14)20)16-13(17-11)21-4;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;1-2(4)3(5)6/h8-9,12-13H,4-7H2,1-3H3,(H2,21,28)(H2,22,23,24,25);5-6,9H,1-4H3,(H2,14,20)(H,15,16,17);5-6,9H,1-4H3,(H2,14,20)(H,15,16,17);4-5H,1-3H3;5H,1-4,9H2;2H,4H2,1H3,(H2,5,6).

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

2-aminopropanamide;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]amino]propanamide has a molecular weight of 1516.24 g/mol, XLogP of 6.81, 19 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopropanamide;4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]amino]propanamide;2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 161066110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).