4-[(6-aminopyrimidin-4-yl)amino]benzamide

C11H11N5O — CID 114561886

IUPAC4-[(6-aminopyrimidin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(N)ncn2)cc1
InChIInChI=1S/C11H11N5O/c12-9-5-10(15-6-14-9)16-8-3-1-7(2-4-8)11(13)17/h1-6H,(H2,13,17)(H3,12,14,15,16)
InChIKeyDIFQRNRGXTXTGV-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.90
Rot. Bonds3

About 4-[(6-aminopyrimidin-4-yl)amino]benzamide

4-[(6-aminopyrimidin-4-yl)amino]benzamide (PubChem CID 114561886) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[(6-aminopyrimidin-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(6-aminopyrimidin-4-yl)amino]benzamide
PubChem CID114561886
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name4-[(6-aminopyrimidin-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2cc(N)ncn2)cc1
InChIInChI=1S/C11H11N5O/c12-9-5-10(15-6-14-9)16-8-3-1-7(2-4-8)11(13)17/h1-6H,(H2,13,17)(H3,12,14,15,16)
InChIKeyDIFQRNRGXTXTGV-UHFFFAOYSA-N
XLogP0.90
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-aminopyrimidin-4-yl)amino]benzamide?
The IUPAC name of 4-[(6-aminopyrimidin-4-yl)amino]benzamide (CID 114561886) is 4-[(6-aminopyrimidin-4-yl)amino]benzamide.
What is the SMILES notation for 4-[(6-aminopyrimidin-4-yl)amino]benzamide?
The canonical SMILES for 4-[(6-aminopyrimidin-4-yl)amino]benzamide is NC(=O)c1ccc(Nc2cc(N)ncn2)cc1.
What is the InChIKey of 4-[(6-aminopyrimidin-4-yl)amino]benzamide?
The InChIKey is DIFQRNRGXTXTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-9-5-10(15-6-14-9)16-8-3-1-7(2-4-8)11(13)17/h1-6H,(H2,13,17)(H3,12,14,15,16).
What are the key properties of 4-[(6-aminopyrimidin-4-yl)amino]benzamide?
4-[(6-aminopyrimidin-4-yl)amino]benzamide has a molecular weight of 229.24 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-aminopyrimidin-4-yl)amino]benzamide is sourced from PubChem (CID 114561886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).