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

C23H26N4O3S — CID 46072235

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

4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 46072235) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
• PubChem CID: 46072235
• Molecular Formula: C23H26N4O3S
• Molecular Weight: 438.55 g/mol
• Exact Mass: 438.17
• IUPAC Name: 4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
• SMILES: COc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2cccs2)CC3)c1
• InChI: InChI=1S/C23H26N4O3S/c1-28-17-4-2-5-18(14-17)30-22-20-16-26(15-19-6-3-13-31-19)8-7-21(20)24-23(25-22)27-9-11-29-12-10-27/h2-6,13-14H,7-12,15-16H2,1H3
• InChIKey: GTNGEVFZPVTSIP-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 59.95 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.55
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 46072235) is 4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

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

The canonical SMILES for 4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is COc1cccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2cccs2)CC3)c1.

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

The InChIKey is GTNGEVFZPVTSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-28-17-4-2-5-18(14-17)30-22-20-16-26(15-19-6-3-13-31-19)8-7-21(20)24-23(25-22)27-9-11-29-12-10-27/h2-6,13-14H,7-12,15-16H2,1H3.

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

4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 438.55 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46072235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).