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

C18H21FN4 — CID 92568658

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

6-[(3-fluorophenyl)methyl]-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 92568658) has the molecular formula C18H21FN4 and a molecular weight of 312.39 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 6-[(3-fluorophenyl)methyl]-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• PubChem CID: 92568658
• Molecular Formula: C18H21FN4
• Molecular Weight: 312.39 g/mol
• Exact Mass: 312.18
• IUPAC Name: 6-[(3-fluorophenyl)methyl]-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
• SMILES: Fc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1
• InChI: InChI=1S/C18H21FN4/c19-15-4-1-3-13(9-15)11-23-8-6-16-14(12-23)10-21-18(22-16)17-5-2-7-20-17/h1,3-4,9-10,17,20H,2,5-8,11-12H2/t17-/m0/s1
• InChIKey: QRLPSYUQCRKAFM-KRWDZBQOSA-N
• XLogP: 2.60
• 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	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-[(3-fluorophenyl)methyl]-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 92568658) is 6-[(3-fluorophenyl)methyl]-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 6-[(3-fluorophenyl)methyl]-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Fc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1.

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

The InChIKey is QRLPSYUQCRKAFM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21FN4/c19-15-4-1-3-13(9-15)11-23-8-6-16-14(12-23)10-21-18(22-16)17-5-2-7-20-17/h1,3-4,9-10,17,20H,2,5-8,11-12H2/t17-/m0/s1.

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

6-[(3-fluorophenyl)methyl]-2-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 312.39 g/mol, XLogP of 2.60, 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-[(2S)-pyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 92568658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).