4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide

C10H12F3N5O — CID 129105303

IUPAC4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)7-5-15-9(16-6-7)18-3-1-17(2-4-18)8(14)19/h5-6H,1-4H2,(H2,14,19)
InChIKeyRVMZTKMDORUSAG-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.70
Rot. Bonds1

About 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide

4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide (PubChem CID 129105303) has the molecular formula C10H12F3N5O and a molecular weight of 275.23 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
PubChem CID129105303
Molecular FormulaC10H12F3N5O
Molecular Weight275.23 g/mol
Exact Mass275.10
IUPAC Name4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide
SMILESNC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H12F3N5O/c11-10(12,13)7-5-15-9(16-6-7)18-3-1-17(2-4-18)8(14)19/h5-6H,1-4H2,(H2,14,19)
InChIKeyRVMZTKMDORUSAG-UHFFFAOYSA-N
XLogP0.70
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 171778967
phenyl-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 171778996
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 1486166
[(3R)-3-aminopiperidin-1-yl]-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 168798772
(3S)-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 175531054
(2-bromophenyl)-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 175596351
[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carbonyl]piperidin-3-yl] carbamate
CID 175596359
3-(propan-2-ylamino)-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;hydrochloride
CID 171493025
2-(2-aminopropylamino)oxy-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 174227916
tert-butyl N-[(2R)-1-oxo-1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propan-2-yl]carbamate
CID 171493245
4-[5-[difluoro(phenyl)methyl]pyrimidin-2-yl]piperazine-1-carboxylic acid
CID 118022948
4-[5-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]piperazine-1-carboxamide
CID 170608664

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide (CID 129105303) is 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide is NC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
The InChIKey is RVMZTKMDORUSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O/c11-10(12,13)7-5-15-9(16-6-7)18-3-1-17(2-4-18)8(14)19/h5-6H,1-4H2,(H2,14,19).
What are the key properties of 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide?
4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide has a molecular weight of 275.23 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 129105303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).