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

C18H22F4N4O3 — CID 118091453

IUPAC9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1nc2n(c(=O)c1F)C(C(F)(F)F)CCN2CC(=O)C1CC1
InChIInChI=1S/C18H22F4N4O3/c1-10-9-29-7-6-25(10)15-14(19)16(28)26-13(18(20,21)22)4-5-24(17(26)23-15)8-12(27)11-2-3-11/h10-11,13H,2-9H2,1H3
InChIKeyWKGVZXBUJASQSZ-UHFFFAOYSA-N
MW418.39 g/mol
LogP1.90
Rot. Bonds4

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

9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091453) has the molecular formula C18H22F4N4O3 and a molecular weight of 418.39 g/mol. Its IUPAC name is 9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091453
Molecular FormulaC18H22F4N4O3
Molecular Weight418.39 g/mol
Exact Mass418.16
IUPAC Name9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCC1COCCN1c1nc2n(c(=O)c1F)C(C(F)(F)F)CCN2CC(=O)C1CC1
InChIInChI=1S/C18H22F4N4O3/c1-10-9-29-7-6-25(10)15-14(19)16(28)26-13(18(20,21)22)4-5-24(17(26)23-15)8-12(27)11-2-3-11/h10-11,13H,2-9H2,1H3
InChIKeyWKGVZXBUJASQSZ-UHFFFAOYSA-N
XLogP1.90
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(6R)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(2-oxopropyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091521
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-[(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-9-(2-hydroxypropyl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 162602345
(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-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
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
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-[(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
(6R)-9-[6-(difluoromethyl)-3-pyridinyl]-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091781
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
(7S)-8-(2-cyclopropyl-2-oxoethyl)-3-fluoro-7-methyl-2-[(3R)-3-methylmorpholin-4-yl]-7-(trifluoromethyl)-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
CID 138525907

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091453) is 9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CC1COCCN1c1nc2n(c(=O)c1F)C(C(F)(F)F)CCN2CC(=O)C1CC1.
What is the InChIKey of 9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is WKGVZXBUJASQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N4O3/c1-10-9-29-7-6-25(10)15-14(19)16(28)26-13(18(20,21)22)4-5-24(17(26)23-15)8-12(27)11-2-3-11/h10-11,13H,2-9H2,1H3.
What are the key properties of 9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 418.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopropyl-2-oxoethyl)-3-fluoro-2-(3-methylmorpholin-4-yl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).