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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-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
SMILESCc1ccn(-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
InChIInChI=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
InChIKeyLQNCPVOTJDNGCA-UHFFFAOYSA-N
MW1361.83 g/mol
LogP9.39
Rot. Bonds18
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).
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Sources
- PubChem CID 159427230 — identifiers, structure, computed properties (public domain)
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