3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C19H24F4N6O3 — CID 123441100

IUPAC3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1nc(CN2c3nc(N4CCOCC4C)c(F)c(=O)n3CCC2C(F)(F)F)no1
InChIInChI=1S/C19H24F4N6O3/c1-10(2)16-24-13(26-32-16)8-29-12(19(21,22)23)4-5-28-17(30)14(20)15(25-18(28)29)27-6-7-31-9-11(27)3/h10-12H,4-9H2,1-3H3
InChIKeyCARWIEAPMONDPG-UHFFFAOYSA-N
MW460.43 g/mol
LogP2.46
Rot. Bonds4

About 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 123441100) has the molecular formula C19H24F4N6O3 and a molecular weight of 460.43 g/mol. Its IUPAC name is 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID123441100
Molecular FormulaC19H24F4N6O3
Molecular Weight460.43 g/mol
Exact Mass460.18
IUPAC Name3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1nc(CN2c3nc(N4CCOCC4C)c(F)c(=O)n3CCC2C(F)(F)F)no1
InChIInChI=1S/C19H24F4N6O3/c1-10(2)16-24-13(26-32-16)8-29-12(19(21,22)23)4-5-28-17(30)14(20)15(25-18(28)29)27-6-7-31-9-11(27)3/h10-12H,4-9H2,1-3H3
InChIKeyCARWIEAPMONDPG-UHFFFAOYSA-N
XLogP2.46
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

9-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 123462322
(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709365
3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-9-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 139509313
3-fluoro-9-(2-hydroxypropyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 162602345
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
3-fluoro-9-(2-hydroxy-2-methylpropyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091615
(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(4-methyl-2-oxopentyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118104529
3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxobutyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118104569
3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[2-(oxan-4-yl)-2-oxoethyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118104570
3-fluoro-2-(3-methylmorpholin-4-yl)-9-(5-methyl-2-oxohexyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 123534397
9-[(6-chloro-3-pyridinyl)methyl]-3-fluoro-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091328
3-fluoro-9-(2-hydroxy-2-piperidin-1-ylethyl)-2-(3-methylmorpholin-4-yl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 123158912

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-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-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 123441100) is 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-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-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-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-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC(C)c1nc(CN2c3nc(N4CCOCC4C)c(F)c(=O)n3CCC2C(F)(F)F)no1.
What is the InChIKey of 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is CARWIEAPMONDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N6O3/c1-10(2)16-24-13(26-32-16)8-29-12(19(21,22)23)4-5-28-17(30)14(20)15(25-18(28)29)27-6-7-31-9-11(27)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 460.43 g/mol, XLogP of 2.46, 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-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 123441100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).