(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one

C23H25F4N7O5 — CID 160886454

About (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one

(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one (PubChem CID 160886454) has the molecular formula C23H25F4N7O5 and a molecular weight of 555.49 g/mol. Its IUPAC name is (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one
• PubChem CID: 160886454
• Molecular Formula: C23H25F4N7O5
• Molecular Weight: 555.49 g/mol
• Exact Mass: 555.19
• IUPAC Name: (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one
• SMILES: Cc1cc(C(=O)CN2c3nc(N4CCOC[C@H]4C)c(F)c(=O)n3CC[C@H]2C(F)(F)F)no1.O=c1ccnc[nH]1
• InChI: InChI=1S/C19H21F4N5O4.C4H4N2O/c1-10-9-31-6-5-26(10)16-15(20)17(30)27-4-3-14(19(21,22)23)28(18(27)24-16)8-13(29)12-7-11(2)32-25-12;7-4-1-2-5-3-6-4/h7,10,14H,3-6,8-9H2,1-2H3;1-3H,(H,5,6,7)/t10-,14+;/m1./s1
• InChIKey: SNRURRXCIHEUCR-LOSLGVLSSA-N
• XLogP: 1.70
• TPSA: 139.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.49
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one?

The IUPAC name of (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one (CID 160886454) is (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one.

What is the SMILES notation for (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one?

The canonical SMILES for (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one is Cc1cc(C(=O)CN2c3nc(N4CCOC[C@H]4C)c(F)c(=O)n3CC[C@H]2C(F)(F)F)no1.O=c1ccnc[nH]1.

What is the InChIKey of (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one?

The InChIKey is SNRURRXCIHEUCR-LOSLGVLSSA-N. The full InChI is InChI=1S/C19H21F4N5O4.C4H4N2O/c1-10-9-31-6-5-26(10)16-15(20)17(30)27-4-3-14(19(21,22)23)28(18(27)24-16)8-13(29)12-7-11(2)32-25-12;7-4-1-2-5-3-6-4/h7,10,14H,3-6,8-9H2,1-2H3;1-3H,(H,5,6,7)/t10-,14+;/m1./s1.

What are the key properties of (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one?

(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one has a molecular weight of 555.49 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one;1H-pyrimidin-6-one is sourced from PubChem (CID 160886454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).