3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide

C15H17ClN4O3 — CID 26120040

IUPAC3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNc2nc(C)cc(C)n2)cc(Cl)c1OC
InChIInChI=1S/C15H17ClN4O3/c1-8-5-9(2)18-15(17-8)20-19-14(21)10-6-11(16)13(23-4)12(7-10)22-3/h5-7H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyYABYPOKSQULFDH-UHFFFAOYSA-N
MW336.78 g/mol
LogP2.52
Rot. Bonds5

About 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide

3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide (PubChem CID 26120040) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide
PubChem CID26120040
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNc2nc(C)cc(C)n2)cc(Cl)c1OC
InChIInChI=1S/C15H17ClN4O3/c1-8-5-9(2)18-15(17-8)20-19-14(21)10-6-11(16)13(23-4)12(7-10)22-3/h5-7H,1-4H3,(H,19,21)(H,17,18,20)
InChIKeyYABYPOKSQULFDH-UHFFFAOYSA-N
XLogP2.52
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4,5-dimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 9475893
3-chloro-4,5-dimethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78927573
N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide
CID 26121927
2-[2-chloro-6-methoxy-4-[[(4-methoxypyrimidin-2-yl)amino]carbamoyl]phenoxy]acetamide
CID 55619349
3-chloro-4,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 115629999
3-chloro-N'-(4-ethoxy-3-methoxybenzoyl)-4,5-dimethoxybenzohydrazide
CID 9439809
3-chloro-4,5-dimethoxy-N-(2-methoxyethoxy)benzamide
CID 79676765
3-chloro-4,5-dimethoxy-N-(5-methyl-2-pyridinyl)benzamide
CID 17395012
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
N'-(3-chloro-4,5-dimethoxybenzoyl)-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418354
3,4,5-trimethoxy-N'-(6-methyl-4-phenylquinazolin-2-yl)benzohydrazide
CID 3339295
3,5-dichloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methoxybenzamide
CID 18848606

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide?
The IUPAC name of 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide (CID 26120040) is 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide.
What is the SMILES notation for 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide?
The canonical SMILES for 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide is COc1cc(C(=O)NNc2nc(C)cc(C)n2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide?
The InChIKey is YABYPOKSQULFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-8-5-9(2)18-15(17-8)20-19-14(21)10-6-11(16)13(23-4)12(7-10)22-3/h5-7H,1-4H3,(H,19,21)(H,17,18,20).
What are the key properties of 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide?
3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide has a molecular weight of 336.78 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-4,5-dimethoxybenzohydrazide is sourced from PubChem (CID 26120040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).