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

C17H18F3N3O3 — CID 135676897

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCc1nc(C)c(CCC(=O)NCc2ccccc2OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C17H18F3N3O3/c1-10-13(16(25)23-11(2)22-10)7-8-15(24)21-9-12-5-3-4-6-14(12)26-17(18,19)20/h3-6H,7-9H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyJGPTXVUGWMVIEV-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.53
Rot. Bonds6

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

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 135676897) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID135676897
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCc1nc(C)c(CCC(=O)NCc2ccccc2OC(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C17H18F3N3O3/c1-10-13(16(25)23-11(2)22-10)7-8-15(24)21-9-12-5-3-4-6-14(12)26-17(18,19)20/h3-6H,7-9H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyJGPTXVUGWMVIEV-UHFFFAOYSA-N
XLogP2.53
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 18271334
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-phenylethyl)propanamide
CID 135587917
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 135956419
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
3-(3,4-dimethoxyphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 34322367
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-[4-(3-hydroxyoxetan-3-yl)triazol-1-yl]phenyl]methyl]propanamide
CID 167797810
N-(2-benzylphenyl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676896
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 135930618

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide (CID 135676897) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is Cc1nc(C)c(CCC(=O)NCc2ccccc2OC(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is JGPTXVUGWMVIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-10-13(16(25)23-11(2)22-10)7-8-15(24)21-9-12-5-3-4-6-14(12)26-17(18,19)20/h3-6H,7-9H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 369.34 g/mol, XLogP of 2.53, 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-[[2-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 135676897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).