tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate

C10H12F3N3O2 — CID 123766639

IUPACtert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O2/c1-9(2,3)18-8(17)16-6-4-14-7(15-5-6)10(11,12)13/h4-5H,1-3H3,(H,16,17)
InChIKeyOSZHIBZGVSLWDI-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate

tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate (PubChem CID 123766639) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate
PubChem CID123766639
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Nametert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N3O2/c1-9(2,3)18-8(17)16-6-4-14-7(15-5-6)10(11,12)13/h4-5H,1-3H3,(H,16,17)
InChIKeyOSZHIBZGVSLWDI-UHFFFAOYSA-N
XLogP2.84
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-Dimethylethyl 4-(5-amino-2-pyrimidinyl)-1-piperazinecarboxylate
CID 59464319
N-(2-methylpyrimidin-5-yl)propanamide
CID 126991142
5-{[(Tert-butoxy)carbonyl]amino}pyrimidine-2-carboxylic acid
CID 131699612
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
tert-butyl N-[1-(5-aminopyrimidin-2-yl)ethyl]carbamate
CID 170912230
t-Butyl [2-(pyrimidin-2-yl)propan-2-yl]carbamate
CID 154824341
(6S)-N-(2-ethylpyrimidin-5-yl)-6-methyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane-1-carboxamide
CID 164637080
2,2,2-trifluoro-N-pyrimidin-5-ylacetamide
CID 18452870
Tert-butyl 4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazine-1-carboxylate
CID 53485514
(S)-tert-butyl 1-(5-fluoropyrimidin-2-yl)ethylcarbamate
CID 58367398
tert-butyl N-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]carbamate
CID 67473887
[2-(Trifluoromethyl)pyrimidin-5-yl]carbamic acid
CID 71227563

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate (CID 123766639) is tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc(C(F)(F)F)nc1.
What is the InChIKey of tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate?
The InChIKey is OSZHIBZGVSLWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-9(2,3)18-8(17)16-6-4-14-7(15-5-6)10(11,12)13/h4-5H,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate?
tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate has a molecular weight of 263.22 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(trifluoromethyl)pyrimidin-5-yl]carbamate is sourced from PubChem (CID 123766639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).