2-[(2-anilinopyrimidin-4-yl)amino]benzamide

C17H15N5O — CID 23647253

IUPAC2-[(2-anilinopyrimidin-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H15N5O/c18-16(23)13-8-4-5-9-14(13)21-15-10-11-19-17(22-15)20-12-6-2-1-3-7-12/h1-11H,(H2,18,23)(H2,19,20,21,22)
InChIKeyTVKTVNQGZQPCAT-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.06
Rot. Bonds5

About 2-[(2-anilinopyrimidin-4-yl)amino]benzamide

2-[(2-anilinopyrimidin-4-yl)amino]benzamide (PubChem CID 23647253) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[(2-anilinopyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(2-anilinopyrimidin-4-yl)amino]benzamide
PubChem CID23647253
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-[(2-anilinopyrimidin-4-yl)amino]benzamide
SMILESNC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H15N5O/c18-16(23)13-8-4-5-9-14(13)21-15-10-11-19-17(22-15)20-12-6-2-1-3-7-12/h1-11H,(H2,18,23)(H2,19,20,21,22)
InChIKeyTVKTVNQGZQPCAT-UHFFFAOYSA-N
XLogP3.06
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[(2-anilinopyrimidin-4-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinopyrimidin-4-yl)amino]benzamide?
The IUPAC name of 2-[(2-anilinopyrimidin-4-yl)amino]benzamide (CID 23647253) is 2-[(2-anilinopyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for 2-[(2-anilinopyrimidin-4-yl)amino]benzamide?
The canonical SMILES for 2-[(2-anilinopyrimidin-4-yl)amino]benzamide is NC(=O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 2-[(2-anilinopyrimidin-4-yl)amino]benzamide?
The InChIKey is TVKTVNQGZQPCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-16(23)13-8-4-5-9-14(13)21-15-10-11-19-17(22-15)20-12-6-2-1-3-7-12/h1-11H,(H2,18,23)(H2,19,20,21,22).
What are the key properties of 2-[(2-anilinopyrimidin-4-yl)amino]benzamide?
2-[(2-anilinopyrimidin-4-yl)amino]benzamide has a molecular weight of 305.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinopyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 23647253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).