4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine

C59H79ClF10N18O6 — CID 159427230

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine (PubChem CID 159427230) has the molecular formula C59H79ClF10N18O6 and a molecular weight of 1361.83 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine.

Molecular Properties

• Compound Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine
• PubChem CID: 159427230
• Molecular Formula: C59H79ClF10N18O6
• Molecular Weight: 1361.83 g/mol
• Exact Mass: 1360.60
• IUPAC Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine
• SMILES: Cc1ccn(-c2cc(Cl)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(N3CCOC(CO)C3)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(N3CCOC(COC(F)F)C3)nc(NC3CCC(F)(F)CC3)n2)n1.FC(F)OCC1CNCCO1
• InChI: InChI=1S/C20H26F4N6O2.C19H26F2N6O2.C14H16ClF2N5.C6H11F2NO2/c1-13-4-7-30(28-13)17-10-16(29-8-9-31-15(11-29)12-32-18(21)22)26-19(27-17)25-14-2-5-20(23,24)6-3-14;1-13-4-7-27(25-13)17-10-16(26-8-9-29-15(11-26)12-28)23-18(24-17)22-14-2-5-19(20,21)6-3-14;1-9-4-7-22(21-9)12-8-11(15)19-13(20-12)18-10-2-5-14(16,17)6-3-10;7-6(8)11-4-5-3-9-1-2-10-5/h4,7,10,14-15,18H,2-3,5-6,8-9,11-12H2,1H3,(H,25,26,27);4,7,10,14-15,28H,2-3,5-6,8-9,11-12H2,1H3,(H,22,23,24);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);5-6,9H,1-4H2
• InChIKey: LQNCPVOTJDNGCA-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 251.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1361.83
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine (CID 159427230) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine.

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

The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine is Cc1ccn(-c2cc(Cl)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(N3CCOC(CO)C3)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn(-c2cc(N3CCOC(COC(F)F)C3)nc(NC3CCC(F)(F)CC3)n2)n1.FC(F)OCC1CNCCO1.

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

The InChIKey is LQNCPVOTJDNGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F4N6O2.C19H26F2N6O2.C14H16ClF2N5.C6H11F2NO2/c1-13-4-7-30(28-13)17-10-16(29-8-9-31-15(11-29)12-32-18(21)22)26-19(27-17)25-14-2-5-20(23,24)6-3-14;1-13-4-7-27(25-13)17-10-16(26-8-9-29-15(11-26)12-28)23-18(24-17)22-14-2-5-19(20,21)6-3-14;1-9-4-7-22(21-9)12-8-11(15)19-13(20-12)18-10-2-5-14(16,17)6-3-10;7-6(8)11-4-5-3-9-1-2-10-5/h4,7,10,14-15,18H,2-3,5-6,8-9,11-12H2,1H3,(H,25,26,27);4,7,10,14-15,28H,2-3,5-6,8-9,11-12H2,1H3,(H,22,23,24);4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);5-6,9H,1-4H2.

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

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine has a molecular weight of 1361.83 g/mol, XLogP of 9.39, 18 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;[4-[2-[(4,4-difluorocyclohexyl)amino]-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]methanol;N-(4,4-difluorocyclohexyl)-4-[2-(difluoromethoxymethyl)morpholin-4-yl]-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine;2-(difluoromethoxymethyl)morpholine is sourced from PubChem (CID 159427230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).