2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide

C11H14F3N3O2 — CID 70787534

IUPAC2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H14F3N3O2/c1-10(2,3)9-15-4-6(8(19)17-9)7(18)16-5-11(12,13)14/h4H,5H2,1-3H3,(H,16,18)(H,15,17,19)
InChIKeyYSUISBIRJRSCGV-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.36
Rot. Bonds2

About 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide

2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70787534) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70787534
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C11H14F3N3O2/c1-10(2,3)9-15-4-6(8(19)17-9)7(18)16-5-11(12,13)14/h4H,5H2,1-3H3,(H,16,18)(H,15,17,19)
InChIKeyYSUISBIRJRSCGV-UHFFFAOYSA-N
XLogP1.36
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-2-(trifluoromethyl)-1H-pyrimidine-5-carboxamide
CID 20360279
2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)-2-methylpropanamide
CID 175560433
5-(aminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 104189956
5-(aminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 104189962
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
5-(propylaminomethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 114206280
5-[(tert-butylamino)methyl]-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206336
N-(2-fluoroethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 133667150
2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyrimidine-5-carboxamide
CID 136226460
N-(3-amino-2,2-difluoropropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137081389
N-(3-amino-2,2-difluoropropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137081390
2-methyl-6-oxo-N-{2-[(trifluoromethyl)thio]ethyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 145934975

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide (CID 70787534) is 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is YSUISBIRJRSCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-10(2,3)9-15-4-6(8(19)17-9)7(18)16-5-11(12,13)14/h4H,5H2,1-3H3,(H,16,18)(H,15,17,19).
What are the key properties of 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide?
2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70787534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).