6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C22H23ClN4O2 — CID 20960392

About 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960392) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• PubChem CID: 20960392
• Molecular Formula: C22H23ClN4O2
• Molecular Weight: 410.91 g/mol
• Exact Mass: 410.15
• IUPAC Name: 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• SMILES: COc1ccc(Nc2ncc3c(n2)CCN(Cc2cccc(Cl)c2)C3)c(OC)c1
• InChI: InChI=1S/C22H23ClN4O2/c1-28-18-6-7-20(21(11-18)29-2)26-22-24-12-16-14-27(9-8-19(16)25-22)13-15-4-3-5-17(23)10-15/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,24,25,26)
• InChIKey: IADGEGZZKYNZQU-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 59.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.91
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The IUPAC name of 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960392) is 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The canonical SMILES for 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1ccc(Nc2ncc3c(n2)CCN(Cc2cccc(Cl)c2)C3)c(OC)c1.

What is the InChIKey of 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The InChIKey is IADGEGZZKYNZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-28-18-6-7-20(21(11-18)29-2)26-22-24-12-16-14-27(9-8-19(16)25-22)13-15-4-3-5-17(23)10-15/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,24,25,26).

What are the key properties of 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 410.91 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-chlorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).