4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide

C18H25N5O — CID 46427400

IUPAC4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H25N5O/c1-5-23(6-2)12-15-7-9-16(10-8-15)17(24)21-22-18-19-13(3)11-14(4)20-18/h7-11H,5-6,12H2,1-4H3,(H,21,24)(H,19,20,22)
InChIKeyHHNIDHYRNNTAHQ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.69
Rot. Bonds7

About 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide

4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide (PubChem CID 46427400) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide
PubChem CID46427400
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C18H25N5O/c1-5-23(6-2)12-15-7-9-16(10-8-15)17(24)21-22-18-19-13(3)11-14(4)20-18/h7-11H,5-6,12H2,1-4H3,(H,21,24)(H,19,20,22)
InChIKeyHHNIDHYRNNTAHQ-UHFFFAOYSA-N
XLogP2.69
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,6-dimethylpyrimidin-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 30341698
N'-[4-(diethylaminomethyl)benzoyl]-2,4-dimethylbenzohydrazide
CID 43069979
4-(diethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 5197815
N'-(4,6-dimethylpyrimidin-2-yl)-6-methoxypyridine-3-carbohydrazide
CID 26121927
N'-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydro-1-benzofuran-5-carbohydrazide
CID 46581863
1-[4-(diethylaminomethyl)phenyl]ethanone
CID 11571995
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686
4-(diethylaminomethyl)-N-phenylmethoxybenzamide
CID 38036519
ethyl 4-(diethylaminomethyl)benzoate
CID 786451
1-benzyl-N'-(4,6-dimethylpyrimidin-2-yl)pyrazole-4-carbohydrazide
CID 26121643

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide?
The IUPAC name of 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide (CID 46427400) is 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide.
What is the SMILES notation for 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide?
The canonical SMILES for 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide is CCN(CC)Cc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1.
What is the InChIKey of 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide?
The InChIKey is HHNIDHYRNNTAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-5-23(6-2)12-15-7-9-16(10-8-15)17(24)21-22-18-19-13(3)11-14(4)20-18/h7-11H,5-6,12H2,1-4H3,(H,21,24)(H,19,20,22).
What are the key properties of 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide?
4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide has a molecular weight of 327.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-N'-(4,6-dimethylpyrimidin-2-yl)benzohydrazide is sourced from PubChem (CID 46427400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).