9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C19H19F3N4O3 — CID 66847701

IUPAC9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccccc1)N1c2nc(N3CCOCC3)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)14-6-7-25-16(27)12-15(24-8-10-29-11-9-24)23-18(25)26(14)17(28)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyBIXPNZXJUZOOER-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.06
Rot. Bonds2

About 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 66847701) has the molecular formula C19H19F3N4O3 and a molecular weight of 408.38 g/mol. Its IUPAC name is 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID66847701
Molecular FormulaC19H19F3N4O3
Molecular Weight408.38 g/mol
Exact Mass408.14
IUPAC Name9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESO=C(c1ccccc1)N1c2nc(N3CCOCC3)cc(=O)n2CCC1C(F)(F)F
InChIInChI=1S/C19H19F3N4O3/c20-19(21,22)14-6-7-25-16(27)12-15(24-8-10-29-11-9-24)23-18(25)26(14)17(28)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2
InChIKeyBIXPNZXJUZOOER-UHFFFAOYSA-N
XLogP2.06
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)benzamide
CID 122179718
(8S)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-9-phenacyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709292
4-{2-[1-(3,4-Difluorobenzoyl)piperidin-2-YL]ethyl}morpholine
CID 53193425
4-{2-[1-(2,4-Difluorobenzoyl)piperidin-2-YL]ethyl}morpholine
CID 53193428
4-{2-[1-(2,5-Difluorobenzoyl)piperidin-2-YL]ethyl}morpholine
CID 53193430
(2-Morpholin-4-yl-4,5-dihydroimidazol-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 53200158
(8S)-9-[2-(3,4-difluorophenyl)-2-oxoethyl]-2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72710039
(8S)-9-[2-(2,4-difluorophenyl)-2-oxoethyl]-2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72710207
2-[4-(3,4-Difluorobenzoyl)piperazin-1-YL]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135674307
7-(2-Fluorobenzoyl)-2-(morpholin-4-YL)-3H,5H,6H,8H-pyrido[3,4-D]pyrimidin-4-one
CID 136143932
6-(3,4-Difluorobenzoyl)-2-morpholin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135963111
6-(3,4-Difluorobenzoyl)-2-(piperidin-1-YL)-3H,5H,7H,8H-pyrido[4,3-D]pyrimidin-4-one
CID 136143890

Frequently Asked Questions

What is the IUPAC name of 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 66847701) is 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is O=C(c1ccccc1)N1c2nc(N3CCOCC3)cc(=O)n2CCC1C(F)(F)F.
What is the InChIKey of 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is BIXPNZXJUZOOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O3/c20-19(21,22)14-6-7-25-16(27)12-15(24-8-10-29-11-9-24)23-18(25)26(14)17(28)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2.
What are the key properties of 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 408.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzoyl-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66847701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).