1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea

C16H17F3N4O — CID 154846523

IUPAC1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2C)cc(N)n1
InChIInChI=1S/C16H17F3N4O/c1-9-3-4-12(16(17,18)19)7-13(9)23-15(24)21-8-11-5-10(2)22-14(20)6-11/h3-7H,8H2,1-2H3,(H2,20,22)(H2,21,23,24)
InChIKeyXEAKOZMWDYVWKC-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.62
Rot. Bonds3

About 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea

1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea (PubChem CID 154846523) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
PubChem CID154846523
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2C)cc(N)n1
InChIInChI=1S/C16H17F3N4O/c1-9-3-4-12(16(17,18)19)7-13(9)23-15(24)21-8-11-5-10(2)22-14(20)6-11/h3-7H,8H2,1-2H3,(H2,20,22)(H2,21,23,24)
InChIKeyXEAKOZMWDYVWKC-UHFFFAOYSA-N
XLogP3.62
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 115670789
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-methyl-5-(trifluoromethyl)phenyl]urea
CID 111566330
1-(2,5-dimethylphenyl)-3-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]urea
CID 3687808
1-(2,4-dimethylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3822404
1-(7-methyl-1H-indazol-4-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 22337684
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
4-hydroxy-N-[2-methyl-5-(trifluoromethyl)phenyl]butanamide
CID 79192569
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
(2R)-2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 103794824
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66475257
(2S)-2-amino-3-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]pentanamide
CID 66475643
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea (CID 154846523) is 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea is Cc1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2C)cc(N)n1.
What is the InChIKey of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea?
The InChIKey is XEAKOZMWDYVWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9-3-4-12(16(17,18)19)7-13(9)23-15(24)21-8-11-5-10(2)22-14(20)6-11/h3-7H,8H2,1-2H3,(H2,20,22)(H2,21,23,24).
What are the key properties of 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea?
1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea has a molecular weight of 338.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-methyl-4-pyridinyl)methyl]-3-[2-methyl-5-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 154846523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).