2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

C18H15FN6O2 — CID 67238183

About 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one

2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 67238183) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 67238183
• Molecular Formula: C18H15FN6O2
• Molecular Weight: 366.36 g/mol
• Exact Mass: 366.12
• IUPAC Name: 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
• SMILES: COc1nccnc1-c1cc(F)ccc1C1Cc2nc(N)ncc2C(=O)N1
• InChI: InChI=1S/C18H15FN6O2/c1-27-17-15(21-4-5-22-17)11-6-9(19)2-3-10(11)13-7-14-12(16(26)24-13)8-23-18(20)25-14/h2-6,8,13H,7H2,1H3,(H,24,26)(H2,20,23,25)
• InChIKey: AZONYRIWPITHAX-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 115.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.36
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?

The IUPAC name of 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one (CID 67238183) is 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one.

What is the SMILES notation for 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?

The canonical SMILES for 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is COc1nccnc1-c1cc(F)ccc1C1Cc2nc(N)ncc2C(=O)N1.

What is the InChIKey of 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?

The InChIKey is AZONYRIWPITHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-27-17-15(21-4-5-22-17)11-6-9(19)2-3-10(11)13-7-14-12(16(26)24-13)8-23-18(20)25-14/h2-6,8,13H,7H2,1H3,(H,24,26)(H2,20,23,25).

What are the key properties of 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one?

2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 366.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-7-[4-fluoro-2-(3-methoxypyrazin-2-yl)phenyl]-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 67238183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).