7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine

C26H24ClF3N6O — CID 58665870

About 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine

7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 58665870) has the molecular formula C26H24ClF3N6O and a molecular weight of 528.97 g/mol. Its IUPAC name is 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 58665870
• Molecular Formula: C26H24ClF3N6O
• Molecular Weight: 528.97 g/mol
• Exact Mass: 528.17
• IUPAC Name: 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
• SMILES: C[C@@H]1CN(Cc2nc(Nc3ccc(C(F)(F)F)cc3)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1
• InChI: InChI=1S/C26H24ClF3N6O/c1-15-12-36(13-16(2)37-15)14-22-34-21-10-17(23-20(27)4-3-9-31-23)11-32-24(21)25(35-22)33-19-7-5-18(6-8-19)26(28,29)30/h3-11,15-16H,12-14H2,1-2H3,(H,33,34,35)/t15-,16+
• InChIKey: RWYOBHYTZPDUBG-IYBDPMFKSA-N
• XLogP: 6.11
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.97
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?

The IUPAC name of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 58665870) is 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is C[C@@H]1CN(Cc2nc(Nc3ccc(C(F)(F)F)cc3)c3ncc(-c4ncccc4Cl)cc3n2)C[C@H](C)O1.

What is the InChIKey of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?

The InChIKey is RWYOBHYTZPDUBG-IYBDPMFKSA-N. The full InChI is InChI=1S/C26H24ClF3N6O/c1-15-12-36(13-16(2)37-15)14-22-34-21-10-17(23-20(27)4-3-9-31-23)11-32-24(21)25(35-22)33-19-7-5-18(6-8-19)26(28,29)30/h3-11,15-16H,12-14H2,1-2H3,(H,33,34,35)/t15-,16+.

What are the key properties of 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine?

7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 528.97 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-chloro-2-pyridinyl)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58665870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).