N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide

C10H12F3N3O2 — CID 99983903

IUPACN,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide
SMILESCN(C)C(=O)CCc1cnc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H12F3N3O2/c1-16(2)7(17)4-3-6-5-14-9(10(11,12)13)15-8(6)18/h5H,3-4H2,1-2H3,(H,14,15,18)
InChIKeyVNXCBWFVDWIBHY-UHFFFAOYSA-N
MW263.22 g/mol
LogP0.81
Rot. Bonds3

About N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide

N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide (PubChem CID 99983903) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide
PubChem CID99983903
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC NameN,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide
SMILESCN(C)C(=O)CCc1cnc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H12F3N3O2/c1-16(2)7(17)4-3-6-5-14-9(10(11,12)13)15-8(6)18/h5H,3-4H2,1-2H3,(H,14,15,18)
InChIKeyVNXCBWFVDWIBHY-UHFFFAOYSA-N
XLogP0.81
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one
CID 170583066
2-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983897
4-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-butyramide
CID 99983909
3-(4,6-Dihydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983939
3-(4-Hydroxy-6-methyl-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 136743773
5-(3-Aminopropyl)-2,3-dimethylpyrimidin-4-one
CID 83875791
5-(3-Aminopropyl)-3-ethyl-2-methylpyrimidin-4-one
CID 83879428
3-(4-Hydroxy-2-methyl-5-pyrimidinyl)propanamide
CID 171976382

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide?
The IUPAC name of N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide (CID 99983903) is N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide is CN(C)C(=O)CCc1cnc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide?
The InChIKey is VNXCBWFVDWIBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-16(2)7(17)4-3-6-5-14-9(10(11,12)13)15-8(6)18/h5H,3-4H2,1-2H3,(H,14,15,18).
What are the key properties of N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide?
N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide has a molecular weight of 263.22 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]propanamide is sourced from PubChem (CID 99983903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).