N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

C7H6F3N3O — CID 69129380

IUPACN-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESO=C(NCC(F)(F)F)c1cncnc1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)3-13-6(14)5-1-11-4-12-2-5/h1-2,4H,3H2,(H,13,14)
InChIKeyPGGNRPZMJAIJAL-UHFFFAOYSA-N
MW205.14 g/mol
LogP0.77
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (PubChem CID 69129380) has the molecular formula C7H6F3N3O and a molecular weight of 205.14 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
PubChem CID69129380
Molecular FormulaC7H6F3N3O
Molecular Weight205.14 g/mol
Exact Mass205.05
IUPAC NameN-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESO=C(NCC(F)(F)F)c1cncnc1
InChIInChI=1S/C7H6F3N3O/c8-7(9,10)3-13-6(14)5-1-11-4-12-2-5/h1-2,4H,3H2,(H,13,14)
InChIKeyPGGNRPZMJAIJAL-UHFFFAOYSA-N
XLogP0.77
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (CID 69129380) is N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is O=C(NCC(F)(F)F)c1cncnc1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The InChIKey is PGGNRPZMJAIJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O/c8-7(9,10)3-13-6(14)5-1-11-4-12-2-5/h1-2,4H,3H2,(H,13,14).
What are the key properties of N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide has a molecular weight of 205.14 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 69129380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).