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

C18H21F4N5O3 — CID 118091627

IUPAC3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cc(CN2c3nc(N4CCOCC4C)c(F)c(=O)n3CCC2C(F)(F)F)on1
InChIInChI=1S/C18H21F4N5O3/c1-10-7-12(30-24-10)8-27-13(18(20,21)22)3-4-26-16(28)14(19)15(23-17(26)27)25-5-6-29-9-11(25)2/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyFLPONZKTNLOTRT-UHFFFAOYSA-N
MW431.39 g/mol
LogP2.25
Rot. Bonds3

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

3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 118091627) has the molecular formula C18H21F4N5O3 and a molecular weight of 431.39 g/mol. Its IUPAC name is 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-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-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID118091627
Molecular FormulaC18H21F4N5O3
Molecular Weight431.39 g/mol
Exact Mass431.16
IUPAC Name3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCc1cc(CN2c3nc(N4CCOCC4C)c(F)c(=O)n3CCC2C(F)(F)F)on1
InChIInChI=1S/C18H21F4N5O3/c1-10-7-12(30-24-10)8-27-13(18(20,21)22)3-4-26-16(28)14(19)15(23-17(26)27)25-5-6-29-9-11(25)2/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyFLPONZKTNLOTRT-UHFFFAOYSA-N
XLogP2.25
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

(8S)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-9-(1,2-oxazol-3-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 72709782
(8S)-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
CID 72709783
(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,2-oxazol-3-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091368
3-fluoro-2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091372
(6R)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091452
2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-6-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091456
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091463
2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091467
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 118091494
(8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(1,2-oxazol-3-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091574
2-(3-methylmorpholin-4-yl)-9-(1,2-oxazol-3-ylmethyl)-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091577
(8S)-3-fluoro-2-[(3R)-3-methylmorpholin-4-yl]-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 118091625

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-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-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 118091627) is 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-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-[(3-methyl-1,2-oxazol-5-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-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is Cc1cc(CN2c3nc(N4CCOCC4C)c(F)c(=O)n3CCC2C(F)(F)F)on1.
What is the InChIKey of 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is FLPONZKTNLOTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F4N5O3/c1-10-7-12(30-24-10)8-27-13(18(20,21)22)3-4-26-16(28)14(19)15(23-17(26)27)25-5-6-29-9-11(25)2/h7,11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 431.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-methylmorpholin-4-yl)-9-[(3-methyl-1,2-oxazol-5-yl)methyl]-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 118091627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).