3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide

C11H9ClN4O2 — CID 47280236

IUPAC3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1cccc(Oc2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C11H9ClN4O2/c12-8-5-9(16-11(14)15-8)18-7-3-1-2-6(4-7)10(13)17/h1-5H,(H2,13,17)(H2,14,15,16)
InChIKeyQCOAXIOUSLIOPD-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.60
Rot. Bonds3

About 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide

3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide (PubChem CID 47280236) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound Name3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide
PubChem CID47280236
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide
SMILESNC(=O)c1cccc(Oc2cc(Cl)nc(N)n2)c1
InChIInChI=1S/C11H9ClN4O2/c12-8-5-9(16-11(14)15-8)18-7-3-1-2-6(4-7)10(13)17/h1-5H,(H2,13,17)(H2,14,15,16)
InChIKeyQCOAXIOUSLIOPD-UHFFFAOYSA-N
XLogP1.60
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide 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 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide?
The IUPAC name of 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide (CID 47280236) is 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide?
The canonical SMILES for 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide is NC(=O)c1cccc(Oc2cc(Cl)nc(N)n2)c1.
What is the InChIKey of 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide?
The InChIKey is QCOAXIOUSLIOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-8-5-9(16-11(14)15-8)18-7-3-1-2-6(4-7)10(13)17/h1-5H,(H2,13,17)(H2,14,15,16).
What are the key properties of 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide?
3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide has a molecular weight of 264.67 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-chloropyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 47280236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).