N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide

C19H15F3N4O — CID 70860526

IUPACN-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1c(NC(=O)c2cccc(C(F)(F)F)c2)cccc1-c1cnc(N)nc1
InChIInChI=1S/C19H15F3N4O/c1-11-15(13-9-24-18(23)25-10-13)6-3-7-16(11)26-17(27)12-4-2-5-14(8-12)19(20,21)22/h2-10H,1H3,(H,26,27)(H2,23,24,25)
InChIKeyRSOMOWMFMBKWAF-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.31
Rot. Bonds3

About N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 70860526) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID70860526
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC NameN-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1c(NC(=O)c2cccc(C(F)(F)F)c2)cccc1-c1cnc(N)nc1
InChIInChI=1S/C19H15F3N4O/c1-11-15(13-9-24-18(23)25-10-13)6-3-7-16(11)26-17(27)12-4-2-5-14(8-12)19(20,21)22/h2-10H,1H3,(H,26,27)(H2,23,24,25)
InChIKeyRSOMOWMFMBKWAF-UHFFFAOYSA-N
XLogP4.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
3-amino-N-(2-aminopyrimidin-5-yl)-2-methylbenzamide;N-(2-aminopyrimidin-5-yl)-2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]benzamide;2-methyl-3-[[3-(trifluoromethyl)benzoyl]amino]-N-[2-[[3-(trifluoromethyl)benzoyl]amino]pyrimidin-5-yl]benzamide;3-(trifluoromethyl)benzoyl chloride
CID 158676844
N-[2-methyl-3-[2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 58829989
N-(5-amino-3-methyl-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 115910718
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
N-(2-aminopyrimidin-5-yl)-2-ethyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 91120622
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
N-[2-(2-methylpropoxy)phenyl]-3-(trifluoromethyl)benzamide
CID 14405584
N-(2-methyl-3-phenylphenyl)benzamide
CID 70826263
N-[3-[(6-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 25072391

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide (CID 70860526) is N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)cccc1-c1cnc(N)nc1.
What is the InChIKey of N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RSOMOWMFMBKWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-11-15(13-9-24-18(23)25-10-13)6-3-7-16(11)26-17(27)12-4-2-5-14(8-12)19(20,21)22/h2-10H,1H3,(H,26,27)(H2,23,24,25).
What are the key properties of N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 372.35 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminopyrimidin-5-yl)-2-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 70860526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).