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

C17H19F2N3 — CID 24928924

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

6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928924) has the molecular formula C17H19F2N3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24928924
• Molecular Formula: C17H19F2N3
• Molecular Weight: 303.36 g/mol
• Exact Mass: 303.15
• IUPAC Name: 6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: CC(C)c1ncc2c(n1)CCN(Cc1c(F)cccc1F)C2
• InChI: InChI=1S/C17H19F2N3/c1-11(2)17-20-8-12-9-22(7-6-16(12)21-17)10-13-14(18)4-3-5-15(13)19/h3-5,8,11H,6-7,9-10H2,1-2H3
• InChIKey: XPAAZVGYJQHZPU-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 29.02 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.36
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928924) is 6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CC(C)c1ncc2c(n1)CCN(Cc1c(F)cccc1F)C2.

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

The InChIKey is XPAAZVGYJQHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3/c1-11(2)17-20-8-12-9-22(7-6-16(12)21-17)10-13-14(18)4-3-5-15(13)19/h3-5,8,11H,6-7,9-10H2,1-2H3.

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

6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 303.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2,6-difluorophenyl)methyl]-2-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).