4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

C26H27F3N4O3 — CID 46072228

About 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 46072228) has the molecular formula C26H27F3N4O3 and a molecular weight of 500.52 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
• PubChem CID: 46072228
• Molecular Formula: C26H27F3N4O3
• Molecular Weight: 500.52 g/mol
• Exact Mass: 500.20
• IUPAC Name: 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
• SMILES: COc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)c1
• InChI: InChI=1S/C26H27F3N4O3/c1-34-20-3-2-4-21(15-20)36-24-22-17-32(16-18-5-7-19(8-6-18)26(27,28)29)10-9-23(22)30-25(31-24)33-11-13-35-14-12-33/h2-8,15H,9-14,16-17H2,1H3
• InChIKey: LLVQFMFEBYXIDN-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 59.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.52
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?

The IUPAC name of 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 46072228) is 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

What is the SMILES notation for 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?

The canonical SMILES for 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is COc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccc(C(F)(F)F)cc2)CC3)c1.

What is the InChIKey of 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?

The InChIKey is LLVQFMFEBYXIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O3/c1-34-20-3-2-4-21(15-20)36-24-22-17-32(16-18-5-7-19(8-6-18)26(27,28)29)10-9-23(22)30-25(31-24)33-11-13-35-14-12-33/h2-8,15H,9-14,16-17H2,1H3.

What are the key properties of 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?

4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 500.52 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46072228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).