2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

C26H23F6N7O — CID 59650774

IUPAC2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESC[C@@H]1CN(Cc2nc(Nc3ccc(C(F)(F)F)cn3)c3ncc(-c4ncccc4C(F)(F)F)cc3n2)C[C@H](C)O1
InChIInChI=1S/C26H23F6N7O/c1-14-11-39(12-15(2)40-14)13-21-36-19-8-16(22-18(26(30,31)32)4-3-7-33-22)9-35-23(19)24(38-21)37-20-6-5-17(10-34-20)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3,(H,34,36,37,38)/t14-,15+
InChIKeyZNGHVIGJALZATN-GASCZTMLSA-N
MW563.51 g/mol
LogP5.87
Rot. Bonds5

About 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine

2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 59650774) has the molecular formula C26H23F6N7O and a molecular weight of 563.51 g/mol. Its IUPAC name is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID59650774
Molecular FormulaC26H23F6N7O
Molecular Weight563.51 g/mol
Exact Mass563.19
IUPAC Name2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESC[C@@H]1CN(Cc2nc(Nc3ccc(C(F)(F)F)cn3)c3ncc(-c4ncccc4C(F)(F)F)cc3n2)C[C@H](C)O1
InChIInChI=1S/C26H23F6N7O/c1-14-11-39(12-15(2)40-14)13-21-36-19-8-16(22-18(26(30,31)32)4-3-7-33-22)9-35-23(19)24(38-21)37-20-6-5-17(10-34-20)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3,(H,34,36,37,38)/t14-,15+
InChIKeyZNGHVIGJALZATN-GASCZTMLSA-N
XLogP5.87
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.51
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine (CID 59650774) is 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is C[C@@H]1CN(Cc2nc(Nc3ccc(C(F)(F)F)cn3)c3ncc(-c4ncccc4C(F)(F)F)cc3n2)C[C@H](C)O1.
What is the InChIKey of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is ZNGHVIGJALZATN-GASCZTMLSA-N. The full InChI is InChI=1S/C26H23F6N7O/c1-14-11-39(12-15(2)40-14)13-21-36-19-8-16(22-18(26(30,31)32)4-3-7-33-22)9-35-23(19)24(38-21)37-20-6-5-17(10-34-20)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3,(H,34,36,37,38)/t14-,15+.
What are the key properties of 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine?
2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 563.51 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 59650774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).