6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane

C72H104ClF6N15O3Sn — CID 158465974

About 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane

6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane (PubChem CID 158465974) has the molecular formula C72H104ClF6N15O3Sn and a molecular weight of 1495.88 g/mol. Its IUPAC name is 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane.

Molecular Properties

• Compound Name: 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane
• PubChem CID: 158465974
• Molecular Formula: C72H104ClF6N15O3Sn
• Molecular Weight: 1495.88 g/mol
• Exact Mass: 1495.71
• IUPAC Name: 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane
• SMILES: CCCC[Sn](/C=C/OCC)(CCCC)CCCC.CCO/C=C/c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.CCOCCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C4CC4)n3)n2)CC1
• InChI: InChI=1S/C20H27F2N5O.C20H25F2N5O.C16H18ClF2N5.C4H7O.3C4H9.Sn/c2*1-2-28-12-8-16-13-18(23-15-5-9-20(21,22)10-6-15)25-19(24-16)27-11-7-17(26-27)14-3-4-14;17-13-9-14(20-11-3-6-16(18,19)7-4-11)22-15(21-13)24-8-5-12(23-24)10-1-2-10;1-3-5-4-2;3*1-3-4-2;/h7,11,13-15H,2-6,8-10,12H2,1H3,(H,23,24,25);7-8,11-15H,2-6,9-10H2,1H3,(H,23,24,25);5,8-11H,1-4,6-7H2,(H,20,21,22);1,3H,4H2,2H3;3*1,3-4H2,2H3;/b;12-8+
• InChIKey: HFTGAAJGCBRUQR-WFSUVJHHSA-N
• XLogP: 18.75
• TPSA: 194.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1495.88
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane?

The IUPAC name of 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane (CID 158465974) is 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane.

What is the SMILES notation for 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane?

The canonical SMILES for 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane is CCCC[Sn](/C=C/OCC)(CCCC)CCCC.CCO/C=C/c1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.CCOCCc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)n1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C4CC4)n3)n2)CC1.

What is the InChIKey of 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane?

The InChIKey is HFTGAAJGCBRUQR-WFSUVJHHSA-N. The full InChI is InChI=1S/C20H27F2N5O.C20H25F2N5O.C16H18ClF2N5.C4H7O.3C4H9.Sn/c2*1-2-28-12-8-16-13-18(23-15-5-9-20(21,22)10-6-15)25-19(24-16)27-11-7-17(26-27)14-3-4-14;17-13-9-14(20-11-3-6-16(18,19)7-4-11)22-15(21-13)24-8-5-12(23-24)10-1-2-10;1-3-5-4-2;3*1-3-4-2;/h7,11,13-15H,2-6,8-10,12H2,1H3,(H,23,24,25);7-8,11-15H,2-6,9-10H2,1H3,(H,23,24,25);5,8-11H,1-4,6-7H2,(H,20,21,22);1,3H,4H2,2H3;3*1,3-4H2,2H3;/b;12-8+;;;;;;.

What are the key properties of 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane?

6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane has a molecular weight of 1495.88 g/mol, XLogP of 18.75, 31 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-[(E)-2-ethoxyethenyl]pyrimidin-4-amine;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-(2-ethoxyethyl)pyrimidin-4-amine;tributyl-[(E)-2-ethoxyethenyl]stannane is sourced from PubChem (CID 158465974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).