6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C28H32N6O2 — CID 91526239

About 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 91526239) has the molecular formula C28H32N6O2 and a molecular weight of 484.60 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• PubChem CID: 91526239
• Molecular Formula: C28H32N6O2
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.26
• IUPAC Name: 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
• SMILES: COCCN1CCc2nc(Nc3ccc(-n4ccnc4C)cc3)nc(Cc3cccc(OC)c3)c2C1
• InChI: InChI=1S/C28H32N6O2/c1-20-29-12-14-34(20)23-9-7-22(8-10-23)30-28-31-26-11-13-33(15-16-35-2)19-25(26)27(32-28)18-21-5-4-6-24(17-21)36-3/h4-10,12,14,17H,11,13,15-16,18-19H2,1-3H3,(H,30,31,32)
• InChIKey: RZSOWSKTRZIROE-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 77.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The IUPAC name of 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 91526239) is 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

What is the SMILES notation for 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The canonical SMILES for 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is COCCN1CCc2nc(Nc3ccc(-n4ccnc4C)cc3)nc(Cc3cccc(OC)c3)c2C1.

What is the InChIKey of 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

The InChIKey is RZSOWSKTRZIROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O2/c1-20-29-12-14-34(20)23-9-7-22(8-10-23)30-28-31-26-11-13-33(15-16-35-2)19-25(26)27(32-28)18-21-5-4-6-24(17-21)36-3/h4-10,12,14,17H,11,13,15-16,18-19H2,1-3H3,(H,30,31,32).

What are the key properties of 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?

6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 484.60 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxyethyl)-4-[(3-methoxyphenyl)methyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 91526239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).