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

C18H21FN4 — CID 92568663

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

6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92568663) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 92568663
• Molecular Formula: C18H21FN4
• Molecular Weight: 312.39 g/mol
• Exact Mass: 312.18
• IUPAC Name: 6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Fc1cccc(CN2CCc3nc([C@H]4CCNC4)ncc3C2)c1
• InChI: InChI=1S/C18H21FN4/c19-16-3-1-2-13(8-16)11-23-7-5-17-15(12-23)10-21-18(22-17)14-4-6-20-9-14/h1-3,8,10,14,20H,4-7,9,11-12H2/t14-/m0/s1
• InChIKey: DZUZCDCWTAXGEM-AWEZNQCLSA-N
• XLogP: 2.25
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.39
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92568663) is 6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1cccc(CN2CCc3nc([C@H]4CCNC4)ncc3C2)c1.

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

The InChIKey is DZUZCDCWTAXGEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21FN4/c19-16-3-1-2-13(8-16)11-23-7-5-17-15(12-23)10-21-18(22-17)14-4-6-20-9-14/h1-3,8,10,14,20H,4-7,9,11-12H2/t14-/m0/s1.

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

6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 312.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3-fluorophenyl)methyl]-2-[(3S)-pyrrolidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92568663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).