N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide

C9H10F3N3O2 — CID 170387113

IUPACN-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C9H10F3N3O2/c1-3-6(16)14-5-4-13-8(9(10,11)12)15(2)7(5)17/h4H,3H2,1-2H3,(H,14,16)
InChIKeyLQDMZDQSMLJXPC-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.15
Rot. Bonds2

About N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide

N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide (PubChem CID 170387113) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide
PubChem CID170387113
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC NameN-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide
SMILESCCC(=O)Nc1cnc(C(F)(F)F)n(C)c1=O
InChIInChI=1S/C9H10F3N3O2/c1-3-6(16)14-5-4-13-8(9(10,11)12)15(2)7(5)17/h4H,3H2,1-2H3,(H,14,16)
InChIKeyLQDMZDQSMLJXPC-UHFFFAOYSA-N
XLogP1.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide?
The IUPAC name of N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide (CID 170387113) is N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide?
The canonical SMILES for N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide is CCC(=O)Nc1cnc(C(F)(F)F)n(C)c1=O.
What is the InChIKey of N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide?
The InChIKey is LQDMZDQSMLJXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-3-6(16)14-5-4-13-8(9(10,11)12)15(2)7(5)17/h4H,3H2,1-2H3,(H,14,16).
What are the key properties of N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide?
N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide has a molecular weight of 249.19 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-6-oxo-2-(trifluoromethyl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 170387113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).