9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C18H23F5N4O2 — CID 118091643

About 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091643) has the molecular formula C18H23F5N4O2 and a molecular weight of 422.40 g/mol. Its IUPAC name is 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• PubChem CID: 118091643
• Molecular Formula: C18H23F5N4O2
• Molecular Weight: 422.40 g/mol
• Exact Mass: 422.17
• IUPAC Name: 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• SMILES: C[C@@H]1COCCN1c1nc2n(c(=O)c1F)CCC(C(F)(F)F)N2C[C@@H](F)C1CC1
• InChI: InChI=1S/C18H23F5N4O2/c1-10-9-29-7-6-25(10)15-14(20)16(28)26-5-4-13(18(21,22)23)27(17(26)24-15)8-12(19)11-2-3-11/h10-13H,2-9H2,1H3/t10-,12-,13?/m1/s1
• InChIKey: BRGWPDOGHJBGQS-HLVWMGJTSA-N
• XLogP: 2.50
• TPSA: 50.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.40
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The IUPAC name of 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091643) is 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The canonical SMILES for 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is C[C@@H]1COCCN1c1nc2n(c(=O)c1F)CCC(C(F)(F)F)N2C[C@@H](F)C1CC1.

What is the InChIKey of 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

The InChIKey is BRGWPDOGHJBGQS-HLVWMGJTSA-N. The full InChI is InChI=1S/C18H23F5N4O2/c1-10-9-29-7-6-25(10)15-14(20)16(28)26-5-4-13(18(21,22)23)27(17(26)24-15)8-12(19)11-2-3-11/h10-13H,2-9H2,1H3/t10-,12-,13?/m1/s1.

What are the key properties of 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?

9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 422.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2S)-2-cyclopropyl-2-fluoroethyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).