2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide

C18H20F3N5O2 — CID 2730673

IUPAC2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(NC(=O)C(C)C)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H20F3N5O2/c1-9(2)14(27)24-16-22-13(23-17(26-16)25-15(28)10(3)4)11-7-5-6-8-12(11)18(19,20)21/h5-10H,1-4H3,(H2,22,23,24,25,26,27,28)
InChIKeyXAVOAAUHYYQHEB-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.75
Rot. Bonds5

About 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide

2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide (PubChem CID 2730673) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide
PubChem CID2730673
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC Name2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nc(NC(=O)C(C)C)nc(-c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C18H20F3N5O2/c1-9(2)14(27)24-16-22-13(23-17(26-16)25-15(28)10(3)4)11-7-5-6-8-12(11)18(19,20)21/h5-10H,1-4H3,(H2,22,23,24,25,26,27,28)
InChIKeyXAVOAAUHYYQHEB-UHFFFAOYSA-N
XLogP3.75
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
4,6-dichloro-5-propan-2-yl-2-[2-(trifluoromethyl)phenyl]pyrimidine
CID 63612354
2-methyl-N-[2-[1-[2-(trifluoromethyl)phenyl]ethylamino]ethyl]propanamide
CID 43111148
1-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548777
2-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081827
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
4-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]benzoic acid
CID 11493928
2,4-bis[2-(trifluoromethyl)phenyl]pyrimidine
CID 174722117
2-methoxy-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113225450
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 8985827
N-[2-(2-bromo-4-propan-2-ylphenyl)ethyl]-4-methyl-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 57122372

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide (CID 2730673) is 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide is CC(C)C(=O)Nc1nc(NC(=O)C(C)C)nc(-c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide?
The InChIKey is XAVOAAUHYYQHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c1-9(2)14(27)24-16-22-13(23-17(26-16)25-15(28)10(3)4)11-7-5-6-8-12(11)18(19,20)21/h5-10H,1-4H3,(H2,22,23,24,25,26,27,28).
What are the key properties of 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide?
2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide has a molecular weight of 395.39 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 2730673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).