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

C27H27F3N6O — CID 58665873

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

2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 58665873) has the molecular formula C27H27F3N6O and a molecular weight of 508.55 g/mol. Its IUPAC name is 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
• PubChem CID: 58665873
• Molecular Formula: C27H27F3N6O
• Molecular Weight: 508.55 g/mol
• Exact Mass: 508.22
• IUPAC Name: 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine
• SMILES: Cc1cccnc1-c1cnc2c(Nc3ccc(C(F)(F)F)cc3)nc(CN3C[C@@H](C)O[C@@H](C)C3)nc2c1
• InChI: InChI=1S/C27H27F3N6O/c1-16-5-4-10-31-24(16)19-11-22-25(32-12-19)26(33-21-8-6-20(7-9-21)27(28,29)30)35-23(34-22)15-36-13-17(2)37-18(3)14-36/h4-12,17-18H,13-15H2,1-3H3,(H,33,34,35)/t17-,18+
• InChIKey: BWGDAJGYTUNVFG-HDICACEKSA-N
• XLogP: 5.77
• 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	508.55
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine (CID 58665873) is 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine.

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

The canonical SMILES for 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is Cc1cccnc1-c1cnc2c(Nc3ccc(C(F)(F)F)cc3)nc(CN3C[C@@H](C)O[C@@H](C)C3)nc2c1.

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

The InChIKey is BWGDAJGYTUNVFG-HDICACEKSA-N. The full InChI is InChI=1S/C27H27F3N6O/c1-16-5-4-10-31-24(16)19-11-22-25(32-12-19)26(33-21-8-6-20(7-9-21)27(28,29)30)35-23(34-22)15-36-13-17(2)37-18(3)14-36/h4-12,17-18H,13-15H2,1-3H3,(H,33,34,35)/t17-,18+.

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

2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 508.55 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-7-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58665873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).