6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H34N4O2 — CID 46346087

About 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 46346087) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 46346087
• Molecular Formula: C24H34N4O2
• Molecular Weight: 410.56 g/mol
• Exact Mass: 410.27
• IUPAC Name: 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1cc(CN2CCc3nc(N4CCC(C)CC4)ncc3C2)ccc1OC(C)C
• InChI: InChI=1S/C24H34N4O2/c1-17(2)30-22-6-5-19(13-23(22)29-4)15-27-10-9-21-20(16-27)14-25-24(26-21)28-11-7-18(3)8-12-28/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3
• InChIKey: YOXRZBILFAKVIQ-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.56
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 46346087) is 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(CN2CCc3nc(N4CCC(C)CC4)ncc3C2)ccc1OC(C)C.

What is the InChIKey of 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is YOXRZBILFAKVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-17(2)30-22-6-5-19(13-23(22)29-4)15-27-10-9-21-20(16-27)14-25-24(26-21)28-11-7-18(3)8-12-28/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3.

What are the key properties of 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 410.56 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 46346087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).