N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide

C11H14F3N3O2 — CID 99983909

IUPACN,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide
SMILESCN(C)C(=O)CCCc1cnc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H14F3N3O2/c1-17(2)8(18)5-3-4-7-6-15-10(11(12,13)14)16-9(7)19/h6H,3-5H2,1-2H3,(H,15,16,19)
InChIKeyJZJSOWREWNKZRL-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.20
Rot. Bonds4

About N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide

N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide (PubChem CID 99983909) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide
PubChem CID99983909
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide
SMILESCN(C)C(=O)CCCc1cnc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C11H14F3N3O2/c1-17(2)8(18)5-3-4-7-6-15-10(11(12,13)14)16-9(7)19/h6H,3-5H2,1-2H3,(H,15,16,19)
InChIKeyJZJSOWREWNKZRL-UHFFFAOYSA-N
XLogP1.20
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-propionamide
CID 99983903
4-(4,6-Dihydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-butyramide
CID 99983944
5-butyl-2-methyl-1H-pyrimidin-6-one
CID 154318485

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide?
The IUPAC name of N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide (CID 99983909) is N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide?
The canonical SMILES for N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide is CN(C)C(=O)CCCc1cnc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide?
The InChIKey is JZJSOWREWNKZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-17(2)8(18)5-3-4-7-6-15-10(11(12,13)14)16-9(7)19/h6H,3-5H2,1-2H3,(H,15,16,19).
What are the key properties of N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide?
N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide has a molecular weight of 277.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-5-yl]butanamide is sourced from PubChem (CID 99983909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).