3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol

C16H14N4O2 — CID 10149490

IUPAC3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol
SMILESOc1cccc(Nc2ccnc(Nc3cccc(O)c3)n2)c1
InChIInChI=1S/C16H14N4O2/c21-13-5-1-3-11(9-13)18-15-7-8-17-16(20-15)19-12-4-2-6-14(22)10-12/h1-10,21-22H,(H2,17,18,19,20)
InChIKeyILKVXIOBSYPDJN-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.38
Rot. Bonds4

About 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol

3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol (PubChem CID 10149490) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol
PubChem CID10149490
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol
SMILESOc1cccc(Nc2ccnc(Nc3cccc(O)c3)n2)c1
InChIInChI=1S/C16H14N4O2/c21-13-5-1-3-11(9-13)18-15-7-8-17-16(20-15)19-12-4-2-6-14(22)10-12/h1-10,21-22H,(H2,17,18,19,20)
InChIKeyILKVXIOBSYPDJN-UHFFFAOYSA-N
XLogP3.38
TPSA90.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol (CID 10149490) is 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol is Oc1cccc(Nc2ccnc(Nc3cccc(O)c3)n2)c1.
What is the InChIKey of 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol?
The InChIKey is ILKVXIOBSYPDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-13-5-1-3-11(9-13)18-15-7-8-17-16(20-15)19-12-4-2-6-14(22)10-12/h1-10,21-22H,(H2,17,18,19,20).
What are the key properties of 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol?
3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol has a molecular weight of 294.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 10149490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).