4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol

C23H34F3N5OS — CID 143946713

About 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol

4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol (PubChem CID 143946713) has the molecular formula C23H34F3N5OS and a molecular weight of 485.62 g/mol. Its IUPAC name is 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol.

Molecular Properties

• Compound Name: 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol
• PubChem CID: 143946713
• Molecular Formula: C23H34F3N5OS
• Molecular Weight: 485.62 g/mol
• Exact Mass: 485.24
• IUPAC Name: 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol
• SMILES: C/C=C\c1nc(-c2c(C)nc(NCC(F)(F)F)nc2NCCC(CC)C(O)CC)sc1CC
• InChI: InChI=1S/C23H34F3N5OS/c1-6-10-16-18(9-4)33-21(30-16)19-14(5)29-22(28-13-23(24,25)26)31-20(19)27-12-11-15(7-2)17(32)8-3/h6,10,15,17,32H,7-9,11-13H2,1-5H3,(H2,27,28,29,31)/b10-6-
• InChIKey: ONLFNNJNUGFOJV-POHAHGRESA-N
• XLogP: 6.08
• TPSA: 82.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.62
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol?

The IUPAC name of 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol (CID 143946713) is 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol.

What is the SMILES notation for 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol?

The canonical SMILES for 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol is C/C=C\c1nc(-c2c(C)nc(NCC(F)(F)F)nc2NCCC(CC)C(O)CC)sc1CC.

What is the InChIKey of 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol?

The InChIKey is ONLFNNJNUGFOJV-POHAHGRESA-N. The full InChI is InChI=1S/C23H34F3N5OS/c1-6-10-16-18(9-4)33-21(30-16)19-14(5)29-22(28-13-23(24,25)26)31-20(19)27-12-11-15(7-2)17(32)8-3/h6,10,15,17,32H,7-9,11-13H2,1-5H3,(H2,27,28,29,31)/b10-6-.

What are the key properties of 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol?

4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol has a molecular weight of 485.62 g/mol, XLogP of 6.08, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-6-[[5-[5-ethyl-4-[(Z)-prop-1-enyl]-1,3-thiazol-2-yl]-6-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]hexan-3-ol is sourced from PubChem (CID 143946713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).