4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol

C19H19N3O4 — CID 135815278

IUPAC4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
SMILESCOc1cc(Nc2nccc(-c3ccc(O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-10-13(11-17(25-2)18(16)26-3)21-19-20-9-8-15(22-19)12-4-6-14(23)7-5-12/h4-11,23H,1-3H3,(H,20,21,22)
InChIKeyLFQZTMDDFZMUGL-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.62
Rot. Bonds6

About 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol

4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol (PubChem CID 135815278) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
PubChem CID135815278
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
SMILESCOc1cc(Nc2nccc(-c3ccc(O)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O4/c1-24-16-10-13(11-17(25-2)18(16)26-3)21-19-20-9-8-15(22-19)12-4-6-14(23)7-5-12/h4-11,23H,1-3H3,(H,20,21,22)
InChIKeyLFQZTMDDFZMUGL-UHFFFAOYSA-N
XLogP3.62
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol?
The IUPAC name of 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol (CID 135815278) is 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol is COc1cc(Nc2nccc(-c3ccc(O)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol?
The InChIKey is LFQZTMDDFZMUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-24-16-10-13(11-17(25-2)18(16)26-3)21-19-20-9-8-15(22-19)12-4-6-14(23)7-5-12/h4-11,23H,1-3H3,(H,20,21,22).
What are the key properties of 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol?
4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol has a molecular weight of 353.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135815278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).