3-fluoro-2-(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

C19H21F4N5O4 — CID 118091653

IUPAC3-fluoro-2-(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
SMILESCc1cc(C(=O)CN2c3nc(N4CCOCC4C)c(F)c(=O)n3CCC2C(F)(F)F)no1
InChIInChI=1S/C19H21F4N5O4/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/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyODBUFRVWBSBJGU-UHFFFAOYSA-N
MW459.40 g/mol
LogP1.93
Rot. Bonds4

About 3-fluoro-2-(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

3-fluoro-2-(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 (PubChem CID 118091653) has the molecular formula C19H21F4N5O4 and a molecular weight of 459.40 g/mol. Its IUPAC name is 3-fluoro-2-(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.

Molecular Properties

Compound Name3-fluoro-2-(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
PubChem CID118091653
Molecular FormulaC19H21F4N5O4
Molecular Weight459.40 g/mol
Exact Mass459.15
IUPAC Name3-fluoro-2-(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
SMILESCc1cc(C(=O)CN2c3nc(N4CCOCC4C)c(F)c(=O)n3CCC2C(F)(F)F)no1
InChIInChI=1S/C19H21F4N5O4/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/h7,10,14H,3-6,8-9H2,1-2H3
InChIKeyODBUFRVWBSBJGU-UHFFFAOYSA-N
XLogP1.93
TPSA93.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.40
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(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?
The IUPAC name of 3-fluoro-2-(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 (CID 118091653) is 3-fluoro-2-(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.
What is the SMILES notation for 3-fluoro-2-(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?
The canonical SMILES for 3-fluoro-2-(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 is Cc1cc(C(=O)CN2c3nc(N4CCOCC4C)c(F)c(=O)n3CCC2C(F)(F)F)no1.
What is the InChIKey of 3-fluoro-2-(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?
The InChIKey is ODBUFRVWBSBJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N5O4/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/h7,10,14H,3-6,8-9H2,1-2H3.
What are the key properties of 3-fluoro-2-(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?
3-fluoro-2-(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 has a molecular weight of 459.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(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 is sourced from PubChem (CID 118091653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).