5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide

C19H14F3N3O2 — CID 11291743

IUPAC5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
SMILESCc1cnc(C(N)=O)nc1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O2/c1-11-10-24-18(17(23)26)25-16(11)13-6-4-5-12(9-13)14-7-2-3-8-15(14)27-19(20,21)22/h2-10H,1H3,(H2,23,26)
InChIKeyVFUVORXPFAXYCS-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.12
Rot. Bonds4

About 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide

5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide (PubChem CID 11291743) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
PubChem CID11291743
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
SMILESCc1cnc(C(N)=O)nc1-c1cccc(-c2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O2/c1-11-10-24-18(17(23)26)25-16(11)13-6-4-5-12(9-13)14-7-2-3-8-15(14)27-19(20,21)22/h2-10H,1H3,(H2,23,26)
InChIKeyVFUVORXPFAXYCS-UHFFFAOYSA-N
XLogP4.12
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11360822
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
CID 11302890
4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 11371458
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11270358
1-methyl-3-[2-(trifluoromethoxy)phenyl]benzene
CID 69482191
4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 58774782
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11258549
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
CID 11696778
ethyl 3-amino-3-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 175004873
2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514239

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide (CID 11291743) is 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide is Cc1cnc(C(N)=O)nc1-c1cccc(-c2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The InChIKey is VFUVORXPFAXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-11-10-24-18(17(23)26)25-16(11)13-6-4-5-12(9-13)14-7-2-3-8-15(14)27-19(20,21)22/h2-10H,1H3,(H2,23,26).
What are the key properties of 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 11291743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).