1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

C19H21F3N4O2 — CID 67775780

IUPAC1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCC1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1Cc1ccccc1
InChIInChI=1S/C19H21F3N4O2/c1-18(19(20,21)22)13-25-16(27)11-15(24-7-9-28-10-8-24)23-17(25)26(18)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3
InChIKeyVDULFFSKRXMGQG-UHFFFAOYSA-N
MW394.40 g/mol
LogP2.42
Rot. Bonds3

About 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one

1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 67775780) has the molecular formula C19H21F3N4O2 and a molecular weight of 394.40 g/mol. Its IUPAC name is 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID67775780
Molecular FormulaC19H21F3N4O2
Molecular Weight394.40 g/mol
Exact Mass394.16
IUPAC Name1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCC1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1Cc1ccccc1
InChIInChI=1S/C19H21F3N4O2/c1-18(19(20,21)22)13-25-16(27)11-15(24-7-9-28-10-8-24)23-17(25)26(18)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3
InChIKeyVDULFFSKRXMGQG-UHFFFAOYSA-N
XLogP2.42
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-7-morpholin-4-yl-1-(2-phenylethyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775104
2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775684
(2R)-1-[(2R)-2-hydroxy-2-phenylethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775692
(2S)-1-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67777177
(2S)-1-[(2S)-2-(2-chloro-4-methoxyphenyl)-2-hydroxyethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 50899803
(2S)-2-methyl-7-[(3R)-3-methylmorpholin-4-yl]-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 118091536
2-morpholin-4-yl-9-phenyl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 123788091
6-fluoro-1-[2-(4-methoxyphenyl)ethyl]-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67961732
1-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-2-methyl-8-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidin-6-one
CID 118091622
(8S)-9-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 139523169
2-methyl-1-[2-(2-methyl-3-pyridinyl)-2-oxoethyl]-7-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 126962583
9-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 75306164

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (CID 67775780) is 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is CC1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is VDULFFSKRXMGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2/c1-18(19(20,21)22)13-25-16(27)11-15(24-7-9-28-10-8-24)23-17(25)26(18)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3.
What are the key properties of 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 394.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 67775780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).