N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide

C10H12F3N3O — CID 155981641

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide
SMILESCc1cc(C)nc(NC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6-5-7(2)15-9(14-6)16-8(17)3-4-10(11,12)13/h5H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyOESBIBUUHKUTBN-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.37
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide

N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide (PubChem CID 155981641) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide
PubChem CID155981641
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide
SMILESCc1cc(C)nc(NC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-6-5-7(2)15-9(14-6)16-8(17)3-4-10(11,12)13/h5H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyOESBIBUUHKUTBN-UHFFFAOYSA-N
XLogP2.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide (CID 155981641) is N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide is Cc1cc(C)nc(NC(=O)CCC(F)(F)F)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide?
The InChIKey is OESBIBUUHKUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-6-5-7(2)15-9(14-6)16-8(17)3-4-10(11,12)13/h5H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide?
N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide has a molecular weight of 247.22 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 155981641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).