2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide

C11H9ClN4O2 — CID 114049171

IUPAC2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)Nc1cc(Cl)ncn1
InChIInChI=1S/C11H9ClN4O2/c12-9-4-10(15-5-14-9)16-11(18)7-3-6(17)1-2-8(7)13/h1-5,17H,13H2,(H,14,15,16,18)
InChIKeyNSRJNQFEJORDBQ-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.67
Rot. Bonds2

About 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide

2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide (PubChem CID 114049171) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide
PubChem CID114049171
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide
SMILESNc1ccc(O)cc1C(=O)Nc1cc(Cl)ncn1
InChIInChI=1S/C11H9ClN4O2/c12-9-4-10(15-5-14-9)16-11(18)7-3-6(17)1-2-8(7)13/h1-5,17H,13H2,(H,14,15,16,18)
InChIKeyNSRJNQFEJORDBQ-UHFFFAOYSA-N
XLogP1.67
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide
CID 136792800
3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide
CID 114050036
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
2-amino-N-(2,4-dichlorophenyl)-5-hydroxybenzamide
CID 107073840
N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912
2-amino-N-(2-chloro-4-fluorophenyl)-5-hydroxybenzamide
CID 107073989
3-bromo-5-chloro-N-(6-chloropyrimidin-4-yl)benzamide
CID 114049580
2-amino-N-(4-chloro-2-pyridinyl)-5-fluorobenzamide
CID 114052160
1-(6-chloropyrimidin-4-yl)-3-(2,6-dichlorophenyl)urea
CID 117075041
2-amino-5-hydroxy-N-(2-iodophenyl)benzamide
CID 107073971
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide (CID 114049171) is 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide is Nc1ccc(O)cc1C(=O)Nc1cc(Cl)ncn1.
What is the InChIKey of 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide?
The InChIKey is NSRJNQFEJORDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-9-4-10(15-5-14-9)16-11(18)7-3-6(17)1-2-8(7)13/h1-5,17H,13H2,(H,14,15,16,18).
What are the key properties of 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide?
2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide has a molecular weight of 264.67 g/mol, XLogP of 1.67, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloropyrimidin-4-yl)-5-hydroxybenzamide is sourced from PubChem (CID 114049171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).