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

C21H25F3N4O2 — CID 67775684

IUPAC2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCC1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1CCCc1ccccc1
InChIInChI=1S/C21H25F3N4O2/c1-20(21(22,23)24)15-27-18(29)14-17(26-10-12-30-13-11-26)25-19(27)28(20)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13,15H2,1H3
InChIKeyQCHVHGORSIWIQG-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.85
Rot. Bonds5

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

2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 67775684) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID67775684
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Name2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
SMILESCC1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1CCCc1ccccc1
InChIInChI=1S/C21H25F3N4O2/c1-20(21(22,23)24)15-27-18(29)14-17(26-10-12-30-13-11-26)25-19(27)28(20)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13,15H2,1H3
InChIKeyQCHVHGORSIWIQG-UHFFFAOYSA-N
XLogP2.85
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-7-morpholin-4-yl-1-(2-phenylethyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775104
1-benzyl-2-methyl-7-morpholin-4-yl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 67775780
(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
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
(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
(2R)-1-[2-(4-aminophenyl)ethyl]-7-[(1S)-4-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-sulfanyl-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one
CID 154937544
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
(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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one (CID 67775684) is 2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is CC1(C(F)(F)F)Cn2c(nc(N3CCOCC3)cc2=O)N1CCCc1ccccc1.
What is the InChIKey of 2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is QCHVHGORSIWIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c1-20(21(22,23)24)15-27-18(29)14-17(26-10-12-30-13-11-26)25-19(27)28(20)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,14H,5,8-13,15H2,1H3.
What are the key properties of 2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one?
2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 422.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-morpholin-4-yl-1-(3-phenylpropyl)-2-(trifluoromethyl)-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 67775684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).