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

C18H19F4N5O3S — CID 162602371

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

3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 162602371) has the molecular formula C18H19F4N5O3S and a molecular weight of 461.44 g/mol. Its IUPAC name is 3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: 3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
• PubChem CID: 162602371
• Molecular Formula: C18H19F4N5O3S
• Molecular Weight: 461.44 g/mol
• Exact Mass: 461.11
• IUPAC Name: 3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-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)N2CC(=O)c1nccs1
• InChI: InChI=1S/C18H19F4N5O3S/c1-10-9-30-6-5-25(10)14-13(19)16(29)26-4-2-12(18(20,21)22)27(17(26)24-14)8-11(28)15-23-3-7-31-15/h3,7,10,12H,2,4-6,8-9H2,1H3/t10-,12?/m1/s1
• InChIKey: AVDGIYFGLVGUDJ-RWANSRKNSA-N
• XLogP: 2.09
• TPSA: 80.56 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.44
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 162602371) is 3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

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

The canonical SMILES for 3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-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)N2CC(=O)c1nccs1.

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

The InChIKey is AVDGIYFGLVGUDJ-RWANSRKNSA-N. The full InChI is InChI=1S/C18H19F4N5O3S/c1-10-9-30-6-5-25(10)14-13(19)16(29)26-4-2-12(18(20,21)22)27(17(26)24-14)8-11(28)15-23-3-7-31-15/h3,7,10,12H,2,4-6,8-9H2,1H3/t10-,12?/m1/s1.

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

3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 461.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 162602371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).