4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide

C21H17F3N4O3 — CID 141360128

IUPAC4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc3c(c(-c4ccc(OC(F)(F)F)cc4)n2)CCCO3)cc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)31-15-9-5-12(6-10-15)17-16-2-1-11-30-19(16)28-20(27-17)26-14-7-3-13(4-8-14)18(25)29/h3-10H,1-2,11H2,(H2,25,29)(H,26,27,28)
InChIKeyPYNSNEMMTCYXAA-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.21
Rot. Bonds5

About 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide

4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 141360128) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide
PubChem CID141360128
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC Name4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc3c(c(-c4ccc(OC(F)(F)F)cc4)n2)CCCO3)cc1
InChIInChI=1S/C21H17F3N4O3/c22-21(23,24)31-15-9-5-12(6-10-15)17-16-2-1-11-30-19(16)28-20(27-17)26-14-7-3-13(4-8-14)18(25)29/h3-10H,1-2,11H2,(H2,25,29)(H,26,27,28)
InChIKeyPYNSNEMMTCYXAA-UHFFFAOYSA-N
XLogP4.21
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide 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

[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]methanamine
CID 168825447
methyl 4-[[4-[4-(trifluoromethoxy)phenyl]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]benzoate
CID 141373883
4-[[7-methyl-4-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzoic acid
CID 141373895
N-(2,6-dimethylphenyl)-4-[[4-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 72724930
N-(5-hydroxy-2-methylphenyl)-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 141359113
N-(2,6-dimethylphenyl)-4-[[5-ethyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 72724860
pyridine;4-[4-(trifluoromethoxy)phenyl]benzamide
CID 155075156
2-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]methyl]prop-2-enamide
CID 175885983
methyl 4-[[9-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]purin-2-yl]amino]benzoate
CID 141373923
4-[[9-[(4-methoxyphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]purin-2-yl]amino]benzoic acid
CID 141373880
1-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 2795611
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 4-(trifluoromethoxy)benzoate
CID 27277785

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide (CID 141360128) is 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2nc3c(c(-c4ccc(OC(F)(F)F)cc4)n2)CCCO3)cc1.
What is the InChIKey of 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide?
The InChIKey is PYNSNEMMTCYXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c22-21(23,24)31-15-9-5-12(6-10-15)17-16-2-1-11-30-19(16)28-20(27-17)26-14-7-3-13(4-8-14)18(25)29/h3-10H,1-2,11H2,(H2,25,29)(H,26,27,28).
What are the key properties of 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide?
4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 430.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(trifluoromethoxy)phenyl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 141360128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).