2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid

C11H13F3N4O2 — CID 66660793

IUPAC2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-2-4-15-9(17-8)18-5-7(6-18)1-3-16-10(19)20/h2,4,7,16H,1,3,5-6H2,(H,19,20)
InChIKeyGLJWDVITXUSFMY-UHFFFAOYSA-N
MW290.25 g/mol
LogP1.59
Rot. Bonds4

About 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid

2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid (PubChem CID 66660793) has the molecular formula C11H13F3N4O2 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid
PubChem CID66660793
Molecular FormulaC11H13F3N4O2
Molecular Weight290.25 g/mol
Exact Mass290.10
IUPAC Name2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid
SMILESO=C(O)NCCC1CN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O2/c12-11(13,14)8-2-4-15-9(17-8)18-5-7(6-18)1-3-16-10(19)20/h2,4,7,16H,1,3,5-6H2,(H,19,20)
InChIKeyGLJWDVITXUSFMY-UHFFFAOYSA-N
XLogP1.59
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid?
The IUPAC name of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid (CID 66660793) is 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid is O=C(O)NCCC1CN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid?
The InChIKey is GLJWDVITXUSFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2/c12-11(13,14)8-2-4-15-9(17-8)18-5-7(6-18)1-3-16-10(19)20/h2,4,7,16H,1,3,5-6H2,(H,19,20).
What are the key properties of 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid?
2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid has a molecular weight of 290.25 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]ethylcarbamic acid is sourced from PubChem (CID 66660793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).