4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C19H21F3N6O — CID 53184261

IUPAC4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC1CN2C=NC(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)=CC2=N1
InChIInChI=1S/C19H21F3N6O/c1-13-11-28-12-23-16(10-17(28)24-13)26-6-8-27(9-7-26)18(29)25-15-5-3-2-4-14(15)19(20,21)22/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,29)
InChIKeyKVBNOCRYUHIWQL-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.84
Rot. Bonds2

About 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 53184261) has the molecular formula C19H21F3N6O and a molecular weight of 406.41 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID53184261
Molecular FormulaC19H21F3N6O
Molecular Weight406.41 g/mol
Exact Mass406.17
IUPAC Name4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCC1CN2C=NC(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)=CC2=N1
InChIInChI=1S/C19H21F3N6O/c1-13-11-28-12-23-16(10-17(28)24-13)26-6-8-27(9-7-26)18(29)25-15-5-3-2-4-14(15)19(20,21)22/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,29)
InChIKeyKVBNOCRYUHIWQL-UHFFFAOYSA-N
XLogP2.84
TPSA63.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide 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

N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-N'-[2-(trifluoromethyl)phenyl]urea
CID 3238359
N-[3-(4-phenylpiperazin-1-yl)propyl]-N'-[2-(trifluoromethyl)phenyl]urea
CID 3245130
N-[2-(4-methylpiperazin-1-yl)ethyl]-N'-[2-(trifluoromethyl)phenyl]urea
CID 3240433
(S)-4-(3-(methylamino)pyrrolidin-1-yl)-1-(o-tolyl)-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 150613022
(S)-4-(pyrrolidin-3-ylamino)-1-(o-tolyl)-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 153608784
(1E)-1-(1-methylpyrrolidin-2-ylidene)-3-[2-(trifluoromethyl)phenyl]urea
CID 12448995
3-oxo-N-phenyl-2-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 134791834
1-[5-(4-Methyl-piperazin-1-yl)-2-oxo-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-(3-trifluoromethyl-phenyl)-urea
CID 44333305
(1E)-1-(1-methylpiperidin-2-ylidene)-3-[4-(trifluoromethyl)phenyl]urea
CID 12449062
1-(2-(4-Methylpiperidin-1-yl)propyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 16842056
1-(3,4-dihydro-2H-pyrrol-5-yl)-1-(3-fluorophenyl)-3-(o-tolyl)urea
CID 18575272
1-[2-(4-Phenylpiperazin-1-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 23609121

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 53184261) is 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is CC1CN2C=NC(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)=CC2=N1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is KVBNOCRYUHIWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6O/c1-13-11-28-12-23-16(10-17(28)24-13)26-6-8-27(9-7-26)18(29)25-15-5-3-2-4-14(15)19(20,21)22/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,29).
What are the key properties of 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 53184261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).