5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide

C17H14N4O2 — CID 135474315

IUPAC5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2ccnc(Nc3ccccc3)n2)ccc1O
InChIInChI=1S/C17H14N4O2/c18-16(23)13-10-11(6-7-15(13)22)14-8-9-19-17(21-14)20-12-4-2-1-3-5-12/h1-10,22H,(H2,18,23)(H,19,20,21)
InChIKeyXUKYSVKPLBPUIT-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.69
Rot. Bonds4

About 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide

5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide (PubChem CID 135474315) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide
PubChem CID135474315
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2ccnc(Nc3ccccc3)n2)ccc1O
InChIInChI=1S/C17H14N4O2/c18-16(23)13-10-11(6-7-15(13)22)14-8-9-19-17(21-14)20-12-4-2-1-3-5-12/h1-10,22H,(H2,18,23)(H,19,20,21)
InChIKeyXUKYSVKPLBPUIT-UHFFFAOYSA-N
XLogP2.69
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide?
The IUPAC name of 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide (CID 135474315) is 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide is NC(=O)c1cc(-c2ccnc(Nc3ccccc3)n2)ccc1O.
What is the InChIKey of 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide?
The InChIKey is XUKYSVKPLBPUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c18-16(23)13-10-11(6-7-15(13)22)14-8-9-19-17(21-14)20-12-4-2-1-3-5-12/h1-10,22H,(H2,18,23)(H,19,20,21).
What are the key properties of 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide?
5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide has a molecular weight of 306.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilinopyrimidin-4-yl)-2-hydroxybenzamide is sourced from PubChem (CID 135474315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).