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

C66H96ClF6N15O2Sn — CID 162150141

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

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;tributyl(prop-1-en-2-yl)stannane (PubChem CID 162150141) has the molecular formula C66H96ClF6N15O2Sn and a molecular weight of 1399.75 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;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;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;tributyl(prop-1-en-2-yl)stannane
• PubChem CID: 162150141
• Molecular Formula: C66H96ClF6N15O2Sn
• Molecular Weight: 1399.75 g/mol
• Exact Mass: 1399.65
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;tributyl(prop-1-en-2-yl)stannane
• SMILES: C=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C19H25F2N5O.C17H21F2N5O.C15H18ClF2N5.3C4H9.C3H5.Sn/c1-5-27-14(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;1-10-8-11(2)24(23-10)16-21-14(12(3)25)9-15(22-16)20-13-4-6-17(18,19)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;3*1-3-4-2;1-3-2;/h10-11,15H,4-9H2,1-3H3,(H,22,23,24);8-9,13H,4-7H2,1-3H3,(H,20,21,22);7-8,11H,3-6H2,1-2H3,(H,19,20,21);3*1,3-4H2,2H3;1H2,2H3
• InChIKey: ZLCBITJTTRLOCR-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 193.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.75
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;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;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;tributyl(prop-1-en-2-yl)stannane (CID 162150141) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;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;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;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;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;tributyl(prop-1-en-2-yl)stannane is C=C(C)[Sn](CCCC)(CCCC)CCCC.C=C(OCC)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.CC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.

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

The InChIKey is ZLCBITJTTRLOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N5O.C17H21F2N5O.C15H18ClF2N5.3C4H9.C3H5.Sn/c1-5-27-14(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;1-10-8-11(2)24(23-10)16-21-14(12(3)25)9-15(22-16)20-13-4-6-17(18,19)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;3*1-3-4-2;1-3-2;/h10-11,15H,4-9H2,1-3H3,(H,22,23,24);8-9,13H,4-7H2,1-3H3,(H,20,21,22);7-8,11H,3-6H2,1-2H3,(H,19,20,21);3*1,3-4H2,2H3;1H2,2H3;.

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

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;tributyl(prop-1-en-2-yl)stannane has a molecular weight of 1399.75 g/mol, XLogP of 17.62, 23 rotatable bonds, 3 hydrogen bond donors, and 17 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;1-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(1-ethoxyethenyl)pyrimidin-4-amine;tributyl(prop-1-en-2-yl)stannane is sourced from PubChem (CID 162150141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).