ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate

C11H14F3N3O2 — CID 71796937

IUPACethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate
SMILESCCOC(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-3-19-10(18)15-5-4-9-16-7(2)6-8(17-9)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,18)
InChIKeyAYMVINSXMCYKNJ-UHFFFAOYSA-N
MW277.25 g/mol
LogP2.09
Rot. Bonds4

About ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate

ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate (PubChem CID 71796937) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate
PubChem CID71796937
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Nameethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate
SMILESCCOC(=O)NCCc1nc(C)cc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-3-19-10(18)15-5-4-9-16-7(2)6-8(17-9)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,18)
InChIKeyAYMVINSXMCYKNJ-UHFFFAOYSA-N
XLogP2.09
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate (CID 71796937) is ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate is CCOC(=O)NCCc1nc(C)cc(C(F)(F)F)n1.
What is the InChIKey of ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate?
The InChIKey is AYMVINSXMCYKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-3-19-10(18)15-5-4-9-16-7(2)6-8(17-9)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,18).
What are the key properties of ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate?
ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate has a molecular weight of 277.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]carbamate is sourced from PubChem (CID 71796937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).