6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C18H21F2N3O — CID 24928903

About 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928903) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24928903
• Molecular Formula: C18H21F2N3O
• Molecular Weight: 333.38 g/mol
• Exact Mass: 333.17
• IUPAC Name: 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: COc1cc(F)c(CN2CCc3nc(C(C)C)ncc3C2)c(F)c1
• InChI: InChI=1S/C18H21F2N3O/c1-11(2)18-21-8-12-9-23(5-4-17(12)22-18)10-14-15(19)6-13(24-3)7-16(14)20/h6-8,11H,4-5,9-10H2,1-3H3
• InChIKey: PHHHGUBNYJIPFW-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 38.25 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.38
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The IUPAC name of 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928903) is 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The canonical SMILES for 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1cc(F)c(CN2CCc3nc(C(C)C)ncc3C2)c(F)c1.

What is the InChIKey of 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

The InChIKey is PHHHGUBNYJIPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-11(2)18-21-8-12-9-23(5-4-17(12)22-18)10-14-15(19)6-13(24-3)7-16(14)20/h6-8,11H,4-5,9-10H2,1-3H3.

What are the key properties of 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?

6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 333.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).