tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride

C60H89Cl5F6N12O6 — CID 158565180

About tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride

tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride (PubChem CID 158565180) has the molecular formula C60H89Cl5F6N12O6 and a molecular weight of 1365.70 g/mol. Its IUPAC name is tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride
• PubChem CID: 158565180
• Molecular Formula: C60H89Cl5F6N12O6
• Molecular Weight: 1365.70 g/mol
• Exact Mass: 1362.54
• IUPAC Name: tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(c2cc(Cl)nc(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc(Cl)nc(NC3CCC(F)(F)CC3)n2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc(NC3CCC(F)(F)CC3)nc(Cl)n2)CC1.Cl.NC1CCC(F)(F)CC1
• InChI: InChI=1S/2C20H29ClF2N4O2.C14H19Cl2N3O2.C6H11F2N.ClH/c1-19(2,3)29-18(28)27-10-6-13(7-11-27)15-12-16(26-17(21)25-15)24-14-4-8-20(22,23)9-5-14;1-19(2,3)29-18(28)27-10-6-13(7-11-27)15-12-16(21)26-17(25-15)24-14-4-8-20(22,23)9-5-14;1-14(2,3)21-13(20)19-6-4-9(5-7-19)10-8-11(15)18-12(16)17-10;7-6(8)3-1-5(9)2-4-6;/h2*12-14H,4-11H2,1-3H3,(H,24,25,26);8-9H,4-7H2,1-3H3;5H,1-4,9H2;1H
• InChIKey: RZQLCDHJQNIVIN-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 216.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1365.70
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride?

The IUPAC name of tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride (CID 158565180) is tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride.

What is the SMILES notation for tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride?

The canonical SMILES for tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride is CC(C)(C)OC(=O)N1CCC(c2cc(Cl)nc(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc(Cl)nc(NC3CCC(F)(F)CC3)n2)CC1.CC(C)(C)OC(=O)N1CCC(c2cc(NC3CCC(F)(F)CC3)nc(Cl)n2)CC1.Cl.NC1CCC(F)(F)CC1.

What is the InChIKey of tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride?

The InChIKey is RZQLCDHJQNIVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H29ClF2N4O2.C14H19Cl2N3O2.C6H11F2N.ClH/c1-19(2,3)29-18(28)27-10-6-13(7-11-27)15-12-16(26-17(21)25-15)24-14-4-8-20(22,23)9-5-14;1-19(2,3)29-18(28)27-10-6-13(7-11-27)15-12-16(21)26-17(25-15)24-14-4-8-20(22,23)9-5-14;1-14(2,3)21-13(20)19-6-4-9(5-7-19)10-8-11(15)18-12(16)17-10;7-6(8)3-1-5(9)2-4-6;/h2*12-14H,4-11H2,1-3H3,(H,24,25,26);8-9H,4-7H2,1-3H3;5H,1-4,9H2;1H.

What are the key properties of tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride?

tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride has a molecular weight of 1365.70 g/mol, XLogP of 16.31, 7 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-[6-chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(2,6-dichloropyrimidin-4-yl)piperidine-1-carboxylate;4,4-difluorocyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 158565180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).