6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C18H22FN3O2 — CID 135917848

About 6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135917848) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135917848
• Molecular Formula: C18H22FN3O2
• Molecular Weight: 331.39 g/mol
• Exact Mass: 331.17
• IUPAC Name: 6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: COc1ccc(F)c(CN2CCc3nc(C(C)C)[nH]c(=O)c3C2)c1
• InChI: InChI=1S/C18H22FN3O2/c1-11(2)17-20-16-6-7-22(10-14(16)18(23)21-17)9-12-8-13(24-3)4-5-15(12)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,20,21,23)
• InChIKey: IKCBPEASRGTJTG-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 58.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.39
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135917848) is 6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

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

The canonical SMILES for 6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(F)c(CN2CCc3nc(C(C)C)[nH]c(=O)c3C2)c1.

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

The InChIKey is IKCBPEASRGTJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-11(2)17-20-16-6-7-22(10-14(16)18(23)21-17)9-12-8-13(24-3)4-5-15(12)19/h4-5,8,11H,6-7,9-10H2,1-3H3,(H,20,21,23).

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

6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 331.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-fluoro-5-methoxyphenyl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135917848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).