9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine

C19H13F3N4O — CID 68524977

IUPAC9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine
SMILESFC(F)(F)c1ncc2ncn(-c3ccc(OCc4ccccc4)cc3)c2n1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)18-23-10-16-17(25-18)26(12-24-16)14-6-8-15(9-7-14)27-11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyGDCQVGXDVVYZLL-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.41
Rot. Bonds4

About 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine

9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine (PubChem CID 68524977) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine.

Molecular Properties

Compound Name9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine
PubChem CID68524977
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine
SMILESFC(F)(F)c1ncc2ncn(-c3ccc(OCc4ccccc4)cc3)c2n1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)18-23-10-16-17(25-18)26(12-24-16)14-6-8-15(9-7-14)27-11-13-4-2-1-3-5-13/h1-10,12H,11H2
InChIKeyGDCQVGXDVVYZLL-UHFFFAOYSA-N
XLogP4.41
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-5-phenylmethoxyimidazo[4,5-b]pyridine
CID 67312864
N-cyclopropyl-9-(3-phenylmethoxyphenyl)-2-(trifluoromethyl)purin-6-amine
CID 10251808
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
9-phenyl-N-[4-(trifluoromethoxy)phenyl]purin-2-amine
CID 85470488
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707
N-(2-methoxyethyl)-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 11465893
N-(4-phenylmethoxyphenyl)-4-(trifluoromethyl)aniline
CID 23393373
3-phenyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 67191628
2-[4-[1-(4-phenylmethoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090708
1-ethyl-3-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)imidazo[4,5-b]pyridin-2-one
CID 58577733
N-[3-(4-methylpiperazin-1-yl)propyl]-3-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 11238430
methyl-tris(4-phenylmethoxyphenyl)silane
CID 90283739

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine?
The IUPAC name of 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine (CID 68524977) is 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine.
What is the SMILES notation for 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine?
The canonical SMILES for 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine is FC(F)(F)c1ncc2ncn(-c3ccc(OCc4ccccc4)cc3)c2n1.
What is the InChIKey of 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine?
The InChIKey is GDCQVGXDVVYZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)18-23-10-16-17(25-18)26(12-24-16)14-6-8-15(9-7-14)27-11-13-4-2-1-3-5-13/h1-10,12H,11H2.
What are the key properties of 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine?
9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine has a molecular weight of 370.33 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylmethoxyphenyl)-2-(trifluoromethyl)purine is sourced from PubChem (CID 68524977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).