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

C23H26N4O3 — CID 20960315

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

6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 20960315) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• PubChem CID: 20960315
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• SMILES: COc1cccc(Nc2ncc3c(n2)CCN(Cc2ccc(OC)c(OC)c2)C3)c1
• InChI: InChI=1S/C23H26N4O3/c1-28-19-6-4-5-18(12-19)25-23-24-13-17-15-27(10-9-20(17)26-23)14-16-7-8-21(29-2)22(11-16)30-3/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,24,25,26)
• InChIKey: LCRPGAHZAZYUBO-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 68.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 20960315) is 6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

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

The canonical SMILES for 6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COc1cccc(Nc2ncc3c(n2)CCN(Cc2ccc(OC)c(OC)c2)C3)c1.

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

The InChIKey is LCRPGAHZAZYUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-28-19-6-4-5-18(12-19)25-23-24-13-17-15-27(10-9-20(17)26-23)14-16-7-8-21(29-2)22(11-16)30-3/h4-8,11-13H,9-10,14-15H2,1-3H3,(H,24,25,26).

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

6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 406.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,4-dimethoxyphenyl)methyl]-N-(3-methoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 20960315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).