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

C21H27FN4O — CID 46961589

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

4-[7-[(3-fluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 46961589) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-[7-[(3-fluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[7-[(3-fluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• PubChem CID: 46961589
• Molecular Formula: C21H27FN4O
• Molecular Weight: 370.47 g/mol
• Exact Mass: 370.22
• IUPAC Name: 4-[7-[(3-fluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine
• SMILES: CC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1cccc(F)c1)C2
• InChI: InChI=1S/C21H27FN4O/c1-15(2)20-23-19-14-25(13-16-4-3-5-17(22)12-16)7-6-18(19)21(24-20)26-8-10-27-11-9-26/h3-5,12,15H,6-11,13-14H2,1-2H3
• InChIKey: FQPGGVOFHAVTTM-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 41.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.47
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 4-[7-[(3-fluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine (CID 46961589) is 4-[7-[(3-fluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine.

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

The canonical SMILES for 4-[7-[(3-fluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is CC(C)c1nc2c(c(N3CCOCC3)n1)CCN(Cc1cccc(F)c1)C2.

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

The InChIKey is FQPGGVOFHAVTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-15(2)20-23-19-14-25(13-16-4-3-5-17(22)12-16)7-6-18(19)21(24-20)26-8-10-27-11-9-26/h3-5,12,15H,6-11,13-14H2,1-2H3.

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

4-[7-[(3-fluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 370.47 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-[(3-fluorophenyl)methyl]-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 46961589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).