6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine

C36H43ClF10N12O2 — CID 157328774

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine

6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine (PubChem CID 157328774) has the molecular formula C36H43ClF10N12O2 and a molecular weight of 901.25 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine
• PubChem CID: 157328774
• Molecular Formula: C36H43ClF10N12O2
• Molecular Weight: 901.25 g/mol
• Exact Mass: 900.32
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine
• SMILES: C1COCCN1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C(F)(F)F)n3)n2)CC1.FC1(F)CCC(Nc2cc(N3CCOCC3)nc(-n3ccc(C(F)(F)F)n3)n2)CC1
• InChI: InChI=1S/C18H21F5N6O.C14H13ClF5N5.C4H9NO/c19-17(20)4-1-12(2-5-17)24-14-11-15(28-7-9-30-10-8-28)26-16(25-14)29-6-3-13(27-29)18(21,22)23;15-10-7-11(21-8-1-4-13(16,17)5-2-8)23-12(22-10)25-6-3-9(24-25)14(18,19)20;1-3-6-4-2-5-1/h3,6,11-12H,1-2,4-5,7-10H2,(H,24,25,26);3,6-8H,1-2,4-5H2,(H,21,22,23);5H,1-4H2
• InChIKey: BFAOXIPDJKUQRO-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 144.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	901.25
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine (CID 157328774) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine is C1COCCN1.FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C(F)(F)F)n3)n2)CC1.FC1(F)CCC(Nc2cc(N3CCOCC3)nc(-n3ccc(C(F)(F)F)n3)n2)CC1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine?

The InChIKey is BFAOXIPDJKUQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F5N6O.C14H13ClF5N5.C4H9NO/c19-17(20)4-1-12(2-5-17)24-14-11-15(28-7-9-30-10-8-28)26-16(25-14)29-6-3-13(27-29)18(21,22)23;15-10-7-11(21-8-1-4-13(16,17)5-2-8)23-12(22-10)25-6-3-9(24-25)14(18,19)20;1-3-6-4-2-5-1/h3,6,11-12H,1-2,4-5,7-10H2,(H,24,25,26);3,6-8H,1-2,4-5H2,(H,21,22,23);5H,1-4H2.

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine?

6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine has a molecular weight of 901.25 g/mol, XLogP of 7.44, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-morpholin-4-yl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;morpholine is sourced from PubChem (CID 157328774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).