5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

C25H26F3N7OS — CID 172592947

About 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine

5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (PubChem CID 172592947) has the molecular formula C25H26F3N7OS and a molecular weight of 529.59 g/mol. Its IUPAC name is 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
• PubChem CID: 172592947
• Molecular Formula: C25H26F3N7OS
• Molecular Weight: 529.59 g/mol
• Exact Mass: 529.19
• IUPAC Name: 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
• SMILES: C[C@@H]1CN(c2nc(-c3ccc(C(F)(F)F)cc3)c3sc(N(C)C)nc3n2)C[C@H](c2cnn(C3CC3)c2)O1
• InChI: InChI=1S/C25H26F3N7OS/c1-14-11-34(13-19(36-14)16-10-29-35(12-16)18-8-9-18)23-30-20(15-4-6-17(7-5-15)25(26,27)28)21-22(31-23)32-24(37-21)33(2)3/h4-7,10,12,14,18-19H,8-9,11,13H2,1-3H3/t14-,19-/m1/s1
• InChIKey: HDUQNISUTQZUTB-AUUYWEPGSA-N
• XLogP: 5.34
• TPSA: 72.20 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.59
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?

The IUPAC name of 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine (CID 172592947) is 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine.

What is the SMILES notation for 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?

The canonical SMILES for 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is C[C@@H]1CN(c2nc(-c3ccc(C(F)(F)F)cc3)c3sc(N(C)C)nc3n2)C[C@H](c2cnn(C3CC3)c2)O1.

What is the InChIKey of 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?

The InChIKey is HDUQNISUTQZUTB-AUUYWEPGSA-N. The full InChI is InChI=1S/C25H26F3N7OS/c1-14-11-34(13-19(36-14)16-10-29-35(12-16)18-8-9-18)23-30-20(15-4-6-17(7-5-15)25(26,27)28)21-22(31-23)32-24(37-21)33(2)3/h4-7,10,12,14,18-19H,8-9,11,13H2,1-3H3/t14-,19-/m1/s1.

What are the key properties of 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine?

5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine has a molecular weight of 529.59 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-N,N-dimethyl-7-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine is sourced from PubChem (CID 172592947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).