9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

C23H25FN4O — CID 10293927

About 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one

9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (PubChem CID 10293927) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
• PubChem CID: 10293927
• Molecular Formula: C23H25FN4O
• Molecular Weight: 392.48 g/mol
• Exact Mass: 392.20
• IUPAC Name: 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one
• SMILES: CC1(C)CN(CCCc2ccccc2F)c2nc(-c3ccncc3)cc(=O)n2C1
• InChI: InChI=1S/C23H25FN4O/c1-23(2)15-27(13-5-7-17-6-3-4-8-19(17)24)22-26-20(14-21(29)28(22)16-23)18-9-11-25-12-10-18/h3-4,6,8-12,14H,5,7,13,15-16H2,1-2H3
• InChIKey: ZDXBMBCNMWWQGX-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 51.02 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.48
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?

The IUPAC name of 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one (CID 10293927) is 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is CC1(C)CN(CCCc2ccccc2F)c2nc(-c3ccncc3)cc(=O)n2C1.

What is the InChIKey of 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?

The InChIKey is ZDXBMBCNMWWQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-23(2)15-27(13-5-7-17-6-3-4-8-19(17)24)22-26-20(14-21(29)28(22)16-23)18-9-11-25-12-10-18/h3-4,6,8-12,14H,5,7,13,15-16H2,1-2H3.

What are the key properties of 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one?

9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 392.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(2-fluorophenyl)propyl]-7,7-dimethyl-2-pyridin-4-yl-6,8-dihydropyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10293927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).