1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione

C19H16F3N3O3 — CID 3656678

IUPAC1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione
SMILESCn1c(=O)cc(Nc2ccc(OC(F)(F)F)cc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H16F3N3O3/c1-24-17(26)11-16(25(18(24)27)12-13-5-3-2-4-6-13)23-14-7-9-15(10-8-14)28-19(20,21)22/h2-11,23H,12H2,1H3
InChIKeyWRTZYBISOBMPEW-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.24
Rot. Bonds5

About 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione

1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione (PubChem CID 3656678) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione
PubChem CID3656678
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione
SMILESCn1c(=O)cc(Nc2ccc(OC(F)(F)F)cc2)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H16F3N3O3/c1-24-17(26)11-16(25(18(24)27)12-13-5-3-2-4-6-13)23-14-7-9-15(10-8-14)28-19(20,21)22/h2-11,23H,12H2,1H3
InChIKeyWRTZYBISOBMPEW-UHFFFAOYSA-N
XLogP3.24
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-phenylethyl)-5-[4-(trifluoromethoxy)anilino]-1,2,4-thiadiazol-3-one
CID 50924713
5-benzyl-2-[4-(trifluoromethoxy)phenyl]pyridazino[4,3-b]indol-3-one
CID 3971832
3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-2,4-dione
CID 4123575
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 59241608
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
1-benzyl-6-[benzyl(methyl)amino]-3-methylpyrimidine-2,4-dione
CID 4151380
1-[[4-(methylsulfanylamino)phenyl]methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazole-2-thione
CID 143309584
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640
methyl 2-oxo-1-[[4-(trifluoromethoxy)phenyl]methyl]quinoline-3-carboxylate
CID 142731706
1-(4-ethylphenyl)-3-phenyl-4-[4-(trifluoromethoxy)anilino]pyrrole-2,5-dione
CID 110595324
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione (CID 3656678) is 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione is Cn1c(=O)cc(Nc2ccc(OC(F)(F)F)cc2)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione?
The InChIKey is WRTZYBISOBMPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c1-24-17(26)11-16(25(18(24)27)12-13-5-3-2-4-6-13)23-14-7-9-15(10-8-14)28-19(20,21)22/h2-11,23H,12H2,1H3.
What are the key properties of 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione?
1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione has a molecular weight of 391.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-6-[4-(trifluoromethoxy)anilino]pyrimidine-2,4-dione is sourced from PubChem (CID 3656678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).