2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide

C13H13ClN4O3 — CID 107624336

IUPAC2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
SMILESCOc1cc(OC)nc(NC(=O)c2cc(Cl)ccc2N)n1
InChIInChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)17-13(16-10)18-12(19)8-5-7(14)3-4-9(8)15/h3-6H,15H2,1-2H3,(H,16,17,18,19)
InChIKeyRCBRKVGFUMYSJN-UHFFFAOYSA-N
MW308.73 g/mol
LogP1.98
Rot. Bonds4

About 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide

2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide (PubChem CID 107624336) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
PubChem CID107624336
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
SMILESCOc1cc(OC)nc(NC(=O)c2cc(Cl)ccc2N)n1
InChIInChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)17-13(16-10)18-12(19)8-5-7(14)3-4-9(8)15/h3-6H,15H2,1-2H3,(H,16,17,18,19)
InChIKeyRCBRKVGFUMYSJN-UHFFFAOYSA-N
XLogP1.98
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600816
N-(4-chloro-6-methoxypyrimidin-2-yl)-2-fluorobenzamide
CID 114052810
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
2-bromo-N-(4,6-dimethoxypyrimidin-2-yl)-4-methylbenzamide
CID 107626172
2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-fluoropyridine-4-carboxamide
CID 107632020
3-amino-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-2-carboxamide
CID 107625756
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532
2-amino-5-chloro-N-pyridin-4-ylbenzamide
CID 16770582
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide?
The IUPAC name of 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide (CID 107624336) is 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide?
The canonical SMILES for 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide is COc1cc(OC)nc(NC(=O)c2cc(Cl)ccc2N)n1.
What is the InChIKey of 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide?
The InChIKey is RCBRKVGFUMYSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c1-20-10-6-11(21-2)17-13(16-10)18-12(19)8-5-7(14)3-4-9(8)15/h3-6H,15H2,1-2H3,(H,16,17,18,19).
What are the key properties of 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide?
2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide has a molecular weight of 308.73 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide is sourced from PubChem (CID 107624336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).