N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide

C20H16F3N3OS — CID 1489984

IUPACN,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide
SMILESCN(C)C(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3OS/c1-26(2)19(27)16-12-24-17(13-7-4-3-5-8-13)25-18(16)28-15-10-6-9-14(11-15)20(21,22)23/h3-12H,1-2H3
InChIKeyLGFDTXFZKICYCQ-UHFFFAOYSA-N
MW403.43 g/mol
LogP5.02
Rot. Bonds4

About N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide

N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide (PubChem CID 1489984) has the molecular formula C20H16F3N3OS and a molecular weight of 403.43 g/mol. Its IUPAC name is N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide
PubChem CID1489984
Molecular FormulaC20H16F3N3OS
Molecular Weight403.43 g/mol
Exact Mass403.10
IUPAC NameN,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide
SMILESCN(C)C(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H16F3N3OS/c1-26(2)19(27)16-12-24-17(13-7-4-3-5-8-13)25-18(16)28-15-10-6-9-14(11-15)20(21,22)23/h3-12H,1-2H3
InChIKeyLGFDTXFZKICYCQ-UHFFFAOYSA-N
XLogP5.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylquinazoline
CID 155568122
ethyl 4-(3-chlorophenyl)sulfanyl-2-phenylpyrimidine-5-carboxylate
CID 1474601
1-[4-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone
CID 62771012
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616
1-[4-(dimethylamino)-2-phenylpyrimidin-5-yl]-2,2,2-trifluoroethanone
CID 59517575
ethyl 6-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylquinoline-3-carboxylate
CID 54568173
6-phenyl-3-[3-(trifluoromethyl)phenyl]sulfanylpyridazine-4-carbonitrile
CID 6404492
N,N-dimethyl-2-[6-(trifluoromethyl)-1H-isoindol-4-yl]benzamide
CID 147625011
ethyl 2-(4-methyl-2-phenylpyrimidin-5-yl)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 162537231
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134794732
4-[5-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]phenol
CID 4984154

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide (CID 1489984) is N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide is CN(C)C(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide?
The InChIKey is LGFDTXFZKICYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3OS/c1-26(2)19(27)16-12-24-17(13-7-4-3-5-8-13)25-18(16)28-15-10-6-9-14(11-15)20(21,22)23/h3-12H,1-2H3.
What are the key properties of N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide?
N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide has a molecular weight of 403.43 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 1489984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).