1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea

C17H18F3N3O2 — CID 149204916

IUPAC1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c(C)c1C
InChIInChI=1S/C17H18F3N3O2/c1-9-10(2)12(4)21-15(11(9)3)23-16(24)22-13-5-7-14(8-6-13)25-17(18,19)20/h5-8H,1-4H3,(H2,21,22,23,24)
InChIKeyXFKJWBRDVJBOAT-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.86
Rot. Bonds3

About 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea

1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea (PubChem CID 149204916) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea.

Molecular Properties

Compound Name1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
PubChem CID149204916
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea
SMILESCc1nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c(C)c1C
InChIInChI=1S/C17H18F3N3O2/c1-9-10(2)12(4)21-15(11(9)3)23-16(24)22-13-5-7-14(8-6-13)25-17(18,19)20/h5-8H,1-4H3,(H2,21,22,23,24)
InChIKeyXFKJWBRDVJBOAT-UHFFFAOYSA-N
XLogP4.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-3-(3,4,5,6-tetramethyl-2-pyridinyl)urea
CID 159946386
1-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122356200
1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 46860155
1-(2-methoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301480
1-[4-(hydroxyamino)-6-methylpyrimidin-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 134284785
1-(4-amino-6-methylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea;methane
CID 157489209
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 11516527
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122296700
1-(2-ethoxypyrimidin-5-yl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 122301912
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
1-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122317122

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The IUPAC name of 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea (CID 149204916) is 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea.
What is the SMILES notation for 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The canonical SMILES for 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea is Cc1nc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)c(C)c(C)c1C.
What is the InChIKey of 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea?
The InChIKey is XFKJWBRDVJBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-9-10(2)12(4)21-15(11(9)3)23-16(24)22-13-5-7-14(8-6-13)25-17(18,19)20/h5-8H,1-4H3,(H2,21,22,23,24).
What are the key properties of 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea?
1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea has a molecular weight of 353.34 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5,6-tetramethyl-2-pyridinyl)-3-[4-(trifluoromethoxy)phenyl]urea is sourced from PubChem (CID 149204916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).