6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride

C20H27ClN4O2 — CID 146071393

About 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride

6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride (PubChem CID 146071393) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride.

Molecular Properties

• Compound Name: 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride
• PubChem CID: 146071393
• Molecular Formula: C20H27ClN4O2
• Molecular Weight: 390.92 g/mol
• Exact Mass: 390.18
• IUPAC Name: 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride
• SMILES: COc1ccc(OC)c(CN2CCc3nc(N4CCCC4)ncc3C2)c1.Cl
• InChI: InChI=1S/C20H26N4O2.ClH/c1-25-17-5-6-19(26-2)15(11-17)13-23-10-7-18-16(14-23)12-21-20(22-18)24-8-3-4-9-24;/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3;1H
• InChIKey: WKLBWRJYKARPQL-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 50.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.92
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride?

The IUPAC name of 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride (CID 146071393) is 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride.

What is the SMILES notation for 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride?

The canonical SMILES for 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride is COc1ccc(OC)c(CN2CCc3nc(N4CCCC4)ncc3C2)c1.Cl.

What is the InChIKey of 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride?

The InChIKey is WKLBWRJYKARPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.ClH/c1-25-17-5-6-19(26-2)15(11-17)13-23-10-7-18-16(14-23)12-21-20(22-18)24-8-3-4-9-24;/h5-6,11-12H,3-4,7-10,13-14H2,1-2H3;1H.

What are the key properties of 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride?

6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;hydrochloride is sourced from PubChem (CID 146071393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).