6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane

C88H133ClF8N22OSn — CID 158393276

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane (PubChem CID 158393276) has the molecular formula C88H133ClF8N22OSn and a molecular weight of 1821.33 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane
• PubChem CID: 158393276
• Molecular Formula: C88H133ClF8N22OSn
• Molecular Weight: 1821.33 g/mol
• Exact Mass: 1820.96
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane
• SMILES: C=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.C=C(OCC)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.CNC.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(C)N(C)C)n2)n1
• InChI: InChI=1S/C19H28F2N6.C19H25F2N5O.C18H23F2N5.C15H18ClF2N5.3C4H9.C3H5.C2H7N.Sn/c1-12-10-13(2)27(25-12)18-23-16(14(3)26(4)5)11-17(24-18)22-15-6-8-19(20,21)9-7-15;1-5-27-14(4)16-11-17(22-15-6-8-19(20,21)9-7-15)24-18(23-16)26-13(3)10-12(2)25-26;1-11(2)15-10-16(21-14-5-7-18(19,20)8-6-14)23-17(22-15)25-13(4)9-12(3)24-25;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;3*1-3-4-2;2*1-3-2;/h10-11,14-15H,6-9H2,1-5H3,(H,22,23,24);10-11,15H,4-9H2,1-3H3,(H,22,23,24);9-10,14H,1,5-8H2,2-4H3,(H,21,22,23);7-8,11H,3-6H2,1-2H3,(H,19,20,21);3*1,3-4H2,2H3;1H2,2H3;3H,1-2H3
• InChIKey: GXFQYANVSMKBMS-UHFFFAOYSA-N
• XLogP: 22.18
• TPSA: 247.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 28
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.33
LogP ≤ 5	22.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane (CID 158393276) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane is C=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(C)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.C=C(OCC)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.CNC.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(C)N(C)C)n2)n1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane?

The InChIKey is GXFQYANVSMKBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2N6.C19H25F2N5O.C18H23F2N5.C15H18ClF2N5.3C4H9.C3H5.C2H7N.Sn/c1-12-10-13(2)27(25-12)18-23-16(14(3)26(4)5)11-17(24-18)22-15-6-8-19(20,21)9-7-15;1-5-27-14(4)16-11-17(22-15-6-8-19(20,21)9-7-15)24-18(23-16)26-13(3)10-12(2)25-26;1-11(2)15-10-16(21-14-5-7-18(19,20)8-6-14)23-17(22-15)25-13(4)9-12(3)24-25;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;3*1-3-4-2;2*1-3-2;/h10-11,14-15H,6-9H2,1-5H3,(H,22,23,24);10-11,15H,4-9H2,1-3H3,(H,22,23,24);9-10,14H,1,5-8H2,2-4H3,(H,21,22,23);7-8,11H,3-6H2,1-2H3,(H,19,20,21);3*1,3-4H2,2H3;1H2,2H3;3H,1-2H3;.

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane?

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane has a molecular weight of 1821.33 g/mol, XLogP of 22.18, 28 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[1-(dimethylamino)ethyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-prop-1-en-2-ylpyrimidin-4-amine;N-methylmethanamine;tributyl(prop-1-en-2-yl)stannane is sourced from PubChem (CID 158393276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).