3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide

C17H17F4N3O3 — CID 135889048

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2cc(F)ccc2OCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C17H17F4N3O3/c1-9-12(16(26)23-10(2)22-9)4-6-15(25)24-13-7-11(18)3-5-14(13)27-8-17(19,20)21/h3,5,7H,4,6,8H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyGBVAMMCPDFXLAM-UHFFFAOYSA-N
MW387.33 g/mol
LogP3.04
Rot. Bonds6

About 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 135889048) has the molecular formula C17H17F4N3O3 and a molecular weight of 387.33 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID135889048
Molecular FormulaC17H17F4N3O3
Molecular Weight387.33 g/mol
Exact Mass387.12
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCc1nc(C)c(CCC(=O)Nc2cc(F)ccc2OCC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C17H17F4N3O3/c1-9-12(16(26)23-10(2)22-9)4-6-15(25)24-13-7-11(18)3-5-14(13)27-8-17(19,20)21/h3,5,7H,4,6,8H2,1-2H3,(H,24,25)(H,22,23,26)
InChIKeyGBVAMMCPDFXLAM-UHFFFAOYSA-N
XLogP3.04
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-fluorophenyl)propanamide
CID 135893498
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135968591
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
methyl 3-[3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanoylamino]-4-methylbenzoate
CID 135677000
N-(5-fluoro-2-methylphenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656358
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-ethylphenyl)propanamide
CID 135550253
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[3-(2-fluorophenoxy)propyl]propanamide
CID 135901538
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 135676897
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 135676927
N-(4-fluorophenyl)-2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]acetamide
CID 24656321
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 18285483
N-(2-benzylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676896

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 135889048) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide is Cc1nc(C)c(CCC(=O)Nc2cc(F)ccc2OCC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is GBVAMMCPDFXLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N3O3/c1-9-12(16(26)23-10(2)22-9)4-6-15(25)24-13-7-11(18)3-5-14(13)27-8-17(19,20)21/h3,5,7H,4,6,8H2,1-2H3,(H,24,25)(H,22,23,26).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 387.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 135889048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).