N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide

C10H10F3N3O3 — CID 15335027

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide
SMILESCOc1cc(OC)nc(NC(=O)CC(F)=C(F)F)n1
InChIInChI=1S/C10H10F3N3O3/c1-18-7-4-8(19-2)16-10(15-7)14-6(17)3-5(11)9(12)13/h4H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyTVOKXSQAEWYICY-UHFFFAOYSA-N
MW277.20 g/mol
LogP1.90
Rot. Bonds5

About N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide

N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide (PubChem CID 15335027) has the molecular formula C10H10F3N3O3 and a molecular weight of 277.20 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide
PubChem CID15335027
Molecular FormulaC10H10F3N3O3
Molecular Weight277.20 g/mol
Exact Mass277.07
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide
SMILESCOc1cc(OC)nc(NC(=O)CC(F)=C(F)F)n1
InChIInChI=1S/C10H10F3N3O3/c1-18-7-4-8(19-2)16-10(15-7)14-6(17)3-5(11)9(12)13/h4H,3H2,1-2H3,(H,14,15,16,17)
InChIKeyTVOKXSQAEWYICY-UHFFFAOYSA-N
XLogP1.90
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide (CID 15335027) is N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide is COc1cc(OC)nc(NC(=O)CC(F)=C(F)F)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide?
The InChIKey is TVOKXSQAEWYICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O3/c1-18-7-4-8(19-2)16-10(15-7)14-6(17)3-5(11)9(12)13/h4H,3H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide?
N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide has a molecular weight of 277.20 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-3,4,4-trifluorobut-3-enamide is sourced from PubChem (CID 15335027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).