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

C17H17F2N3 — CID 24928937

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

2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24928937) has the molecular formula C17H17F2N3 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 24928937
• Molecular Formula: C17H17F2N3
• Molecular Weight: 301.34 g/mol
• Exact Mass: 301.14
• IUPAC Name: 2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Fc1cccc(F)c1CN1CCc2nc(C3CC3)ncc2C1
• InChI: InChI=1S/C17H17F2N3/c18-14-2-1-3-15(19)13(14)10-22-7-6-16-12(9-22)8-20-17(21-16)11-4-5-11/h1-3,8,11H,4-7,9-10H2
• InChIKey: UBIPEMIAZKONLF-UHFFFAOYSA-N
• XLogP: 3.19
• 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	301.34
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24928937) is 2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1cccc(F)c1CN1CCc2nc(C3CC3)ncc2C1.

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

The InChIKey is UBIPEMIAZKONLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3/c18-14-2-1-3-15(19)13(14)10-22-7-6-16-12(9-22)8-20-17(21-16)11-4-5-11/h1-3,8,11H,4-7,9-10H2.

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

2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 301.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-6-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24928937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).