N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

C16H16F3N3OS — CID 20913742

IUPACN-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(SC)nc1C(F)(F)F
InChIInChI=1S/C16H16F3N3OS/c1-4-10-7-5-6-9(2)12(10)21-14(23)11-8-20-15(24-3)22-13(11)16(17,18)19/h5-8H,4H2,1-3H3,(H,21,23)
InChIKeyQQKFPJPELFZVDM-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.34
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide

N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 20913742) has the molecular formula C16H16F3N3OS and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID20913742
Molecular FormulaC16H16F3N3OS
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cnc(SC)nc1C(F)(F)F
InChIInChI=1S/C16H16F3N3OS/c1-4-10-7-5-6-9(2)12(10)21-14(23)11-8-20-15(24-3)22-13(11)16(17,18)19/h5-8H,4H2,1-3H3,(H,21,23)
InChIKeyQQKFPJPELFZVDM-UHFFFAOYSA-N
XLogP4.34
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913659
N-(4-bromo-3-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 20913741
N-(2-chloro-6-methylphenyl)-4-(methylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 118164542
N-(furan-2-ylmethyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 20913721
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
2-amino-5-chloro-N-(2-ethyl-6-methylphenyl)pyridine-4-carboxamide
CID 114921441
6-amino-N-(2-ethyl-6-methylphenyl)pyridine-3-carboxamide
CID 62153379
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
2-bromo-N-(2-ethyl-6-methylphenyl)-5-fluorobenzamide
CID 24693167
4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913801
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 20913742) is N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is CCc1cccc(C)c1NC(=O)c1cnc(SC)nc1C(F)(F)F.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is QQKFPJPELFZVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3OS/c1-4-10-7-5-6-9(2)12(10)21-14(23)11-8-20-15(24-3)22-13(11)16(17,18)19/h5-8H,4H2,1-3H3,(H,21,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide?
N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 20913742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).