1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea

C9H10F3N3O — CID 129348770

IUPAC1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCNC(=O)Nc1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C9H10F3N3O/c1-5-6(15-8(16)13-2)3-4-7(14-5)9(10,11)12/h3-4H,1-2H3,(H2,13,15,16)
InChIKeyJYUBSOLBMCHVJR-UHFFFAOYSA-N
MW233.19 g/mol
LogP2.16
Rot. Bonds1

About 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea

1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 129348770) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID129348770
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCNC(=O)Nc1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C9H10F3N3O/c1-5-6(15-8(16)13-2)3-4-7(14-5)9(10,11)12/h3-4H,1-2H3,(H2,13,15,16)
InChIKeyJYUBSOLBMCHVJR-UHFFFAOYSA-N
XLogP2.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 166140871
2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one
CID 143235788
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
CID 2726846
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
2-(methylcarbamoylamino)-5-(trifluoromethyl)benzoic acid
CID 22268814
N-(2-tert-butylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31890720
2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 28875322
N-[2-(ethylaminomethyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;hydrochloride
CID 119438731
(2S)-2-methyl-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-4-(oxan-4-yl)piperazine-1-carboxamide
CID 167773719
N-(4-acetylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 71898029
2-methyl-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119187886

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea (CID 129348770) is 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea is CNC(=O)Nc1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is JYUBSOLBMCHVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-5-6(15-8(16)13-2)3-4-7(14-5)9(10,11)12/h3-4H,1-2H3,(H2,13,15,16).
What are the key properties of 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea?
1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 233.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 129348770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).