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

C₃₆H₅₁ClF₄N₁₄O₂ — CID 161488738

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

2-aminopropanamide;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide (PubChem CID 161488738) has the molecular formula C₃₆H₅₁ClF₄N₁₄O₂ and a molecular weight of 823.35 g/mol. Its IUPAC name is 2-aminopropanamide;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

• Compound Name: 2-aminopropanamide;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide
• PubChem CID: 161488738
• Molecular Formula: C₃₆H₅₁ClF₄N₁₄O₂
• Molecular Weight: 823.35 g/mol
• Exact Mass: 822.39
• IUPAC Name: 2-aminopropanamide;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide
• SMILES: CC(N)C(N)=O.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC(C)C(N)=O)n2)n1
• InChI: InChI=1S/C18H25F2N7O.C15H18ClF2N5.C3H8N2O/c1-10-8-11(2)27(26-10)17-24-14(22-12(3)16(21)28)9-15(25-17)23-13-4-6-18(19,20)7-5-13;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-2(4)3(5)6/h8-9,12-13H,4-7H2,1-3H3,(H2,21,28)(H2,22,23,24,25);7-8,11H,3-6H2,1-2H3,(H,19,20,21);2H,4H2,1H3,(H2,5,6)
• InChIKey: WFIATSPYYGNZAY-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 235.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	823.35
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 2-aminopropanamide;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide (CID 161488738) is 2-aminopropanamide;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide.

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

The canonical SMILES for 2-aminopropanamide;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide is CC(N)C(N)=O.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(NC(C)C(N)=O)n2)n1.

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

The InChIKey is WFIATSPYYGNZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N7O.C15H18ClF2N5.C3H8N2O/c1-10-8-11(2)27(26-10)17-24-14(22-12(3)16(21)28)9-15(25-17)23-13-4-6-18(19,20)7-5-13;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-2(4)3(5)6/h8-9,12-13H,4-7H2,1-3H3,(H2,21,28)(H2,22,23,24,25);7-8,11H,3-6H2,1-2H3,(H,19,20,21);2H,4H2,1H3,(H2,5,6).

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

2-aminopropanamide;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 823.35 g/mol, XLogP of 5.30, 10 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-aminopropanamide;6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 161488738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161488738 — identifiers, structure, computed properties (public domain)

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