5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide

C13H12ClN3O3 — CID 107600816

IUPAC5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
SMILESCOc1cc(C)nc(NC(=O)c2cc(Cl)ccc2O)n1
InChIInChI=1S/C13H12ClN3O3/c1-7-5-11(20-2)16-13(15-7)17-12(19)9-6-8(14)3-4-10(9)18/h3-6,18H,1-2H3,(H,15,16,17,19)
InChIKeyMYXCZMOMIBBPCX-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.40
Rot. Bonds3

About 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide

5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide (PubChem CID 107600816) has the molecular formula C13H12ClN3O3 and a molecular weight of 293.71 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
PubChem CID107600816
Molecular FormulaC13H12ClN3O3
Molecular Weight293.71 g/mol
Exact Mass293.06
IUPAC Name5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
SMILESCOc1cc(C)nc(NC(=O)c2cc(Cl)ccc2O)n1
InChIInChI=1S/C13H12ClN3O3/c1-7-5-11(20-2)16-13(15-7)17-12(19)9-6-8(14)3-4-10(9)18/h3-6,18H,1-2H3,(H,15,16,17,19)
InChIKeyMYXCZMOMIBBPCX-UHFFFAOYSA-N
XLogP2.40
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-5-methoxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107600817
3,4-dihydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107728577
2-amino-5-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624336
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
6-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridazine-3-carboxamide
CID 107605634
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)-6-(methylamino)pyridine-4-carboxamide
CID 107603438
2-amino-4-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107605297
2-(2-chlorophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)quinoline-4-carboxamide
CID 166364697
3-bromo-2-fluoro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide
CID 107953809
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide (CID 107600816) is 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide is COc1cc(C)nc(NC(=O)c2cc(Cl)ccc2O)n1.
What is the InChIKey of 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
The InChIKey is MYXCZMOMIBBPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3/c1-7-5-11(20-2)16-13(15-7)17-12(19)9-6-8(14)3-4-10(9)18/h3-6,18H,1-2H3,(H,15,16,17,19).
What are the key properties of 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide?
5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide has a molecular weight of 293.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzamide is sourced from PubChem (CID 107600816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).