2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C7H4Cl2F3N3O — CID 121409424

IUPAC2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H4Cl2F3N3O/c8-4-1-3(14-6(9)15-4)5(16)13-2-7(10,11)12/h1H,2H2,(H,13,16)
InChIKeyXBBJWEZOIWFCLN-UHFFFAOYSA-N
MW274.03 g/mol
LogP2.08
Rot. Bonds2

About 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 121409424) has the molecular formula C7H4Cl2F3N3O and a molecular weight of 274.03 g/mol. Its IUPAC name is 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID121409424
Molecular FormulaC7H4Cl2F3N3O
Molecular Weight274.03 g/mol
Exact Mass272.97
IUPAC Name2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1cc(Cl)nc(Cl)n1
InChIInChI=1S/C7H4Cl2F3N3O/c8-4-1-3(14-6(9)15-4)5(16)13-2-7(10,11)12/h1H,2H2,(H,13,16)
InChIKeyXBBJWEZOIWFCLN-UHFFFAOYSA-N
XLogP2.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.03
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 121409424) is 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is O=C(NCC(F)(F)F)c1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is XBBJWEZOIWFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N3O/c8-4-1-3(14-6(9)15-4)5(16)13-2-7(10,11)12/h1H,2H2,(H,13,16).
What are the key properties of 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 274.03 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 121409424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).