7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C21H23N5O2 — CID 136851025

About 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136851025) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136851025
• Molecular Formula: C21H23N5O2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.19
• IUPAC Name: 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: COc1ccc(CN2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c(C)c1C
• InChI: InChI=1S/C21H23N5O2/c1-13-14(2)19(28-3)5-4-15(13)11-26-9-6-16-18(12-26)24-20(25-21(16)27)17-10-22-7-8-23-17/h4-5,7-8,10H,6,9,11-12H2,1-3H3,(H,24,25,27)
• InChIKey: VSWORJXMEDCYJK-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136851025) is 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccc(CN2CCc3c(nc(-c4cnccn4)[nH]c3=O)C2)c(C)c1C.

What is the InChIKey of 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is VSWORJXMEDCYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-14(2)19(28-3)5-4-15(13)11-26-9-6-16-18(12-26)24-20(25-21(16)27)17-10-22-7-8-23-17/h4-5,7-8,10H,6,9,11-12H2,1-3H3,(H,24,25,27).

What are the key properties of 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 377.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-pyrazin-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136851025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).