[2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate

C16H15ClF3N3O2 — CID 2730025

IUPAC[2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(C(F)(F)F)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClF3N3O2/c1-3-23(4-2)15(24)25-13-9-12(16(18,19)20)21-14(22-13)10-5-7-11(17)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyGDLWEZOQCQRXCO-UHFFFAOYSA-N
MW373.76 g/mol
LogP4.66
Rot. Bonds4

About [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate

[2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate (PubChem CID 2730025) has the molecular formula C16H15ClF3N3O2 and a molecular weight of 373.76 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate
PubChem CID2730025
Molecular FormulaC16H15ClF3N3O2
Molecular Weight373.76 g/mol
Exact Mass373.08
IUPAC Name[2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(C(F)(F)F)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H15ClF3N3O2/c1-3-23(4-2)15(24)25-13-9-12(16(18,19)20)21-14(22-13)10-5-7-11(17)8-6-10/h5-9H,3-4H2,1-2H3
InChIKeyGDLWEZOQCQRXCO-UHFFFAOYSA-N
XLogP4.66
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate?
The IUPAC name of [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate (CID 2730025) is [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate.
What is the SMILES notation for [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate?
The canonical SMILES for [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(C(F)(F)F)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate?
The InChIKey is GDLWEZOQCQRXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N3O2/c1-3-23(4-2)15(24)25-13-9-12(16(18,19)20)21-14(22-13)10-5-7-11(17)8-6-10/h5-9H,3-4H2,1-2H3.
What are the key properties of [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate?
[2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate has a molecular weight of 373.76 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl] N,N-diethylcarbamate is sourced from PubChem (CID 2730025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).