6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine

C54H75ClF6N18O3 — CID 158423289

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine (PubChem CID 158423289) has the molecular formula C54H75ClF6N18O3 and a molecular weight of 1173.76 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine
• PubChem CID: 158423289
• Molecular Formula: C54H75ClF6N18O3
• Molecular Weight: 1173.76 g/mol
• Exact Mass: 1172.59
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine
• SMILES: C1COCCN1.CC1=NN(c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)CC1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
• InChI: InChI=1S/C18H26F2N6O.C18H24F2N6O.C14H16ClF2N5.C4H9NO/c2*1-13-4-7-26(24-13)17-22-15(21-14-2-5-18(19,20)6-3-14)12-16(23-17)25-8-10-27-11-9-25;1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-3-6-4-2-5-1/h12,14H,2-11H2,1H3,(H,21,22,23);4,7,12,14H,2-3,5-6,8-11H2,1H3,(H,21,22,23);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);5H,1-4H2
• InChIKey: HATAEECQELPLKR-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 210.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 11
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1173.76
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine (CID 158423289) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine is C1COCCN1.CC1=NN(c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)CC1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine?

The InChIKey is HATAEECQELPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N6O.C18H24F2N6O.C14H16ClF2N5.C4H9NO/c2*1-13-4-7-26(24-13)17-22-15(21-14-2-5-18(19,20)6-3-14)12-16(23-17)25-8-10-27-11-9-25;1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-3-6-4-2-5-1/h12,14H,2-11H2,1H3,(H,21,22,23);4,7,12,14H,2-3,5-6,8-11H2,1H3,(H,21,22,23);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);5H,1-4H2.

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine?

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine has a molecular weight of 1173.76 g/mol, XLogP of 8.91, 11 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(5-methyl-3,4-dihydropyrazol-2-yl)-6-morpholin-4-ylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine is sourced from PubChem (CID 158423289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).