4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide

C13H14N6O3 — CID 26120620

IUPAC4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C13H14N6O3/c1-7-5-8(2)16-13(15-7)18-17-12(20)9-3-4-10(14)11(6-9)19(21)22/h3-6H,14H2,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyPUMSKBRNJGVMCD-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.34
Rot. Bonds4

About 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide

4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide (PubChem CID 26120620) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide.

Molecular Properties

Compound Name4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide
PubChem CID26120620
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide
SMILESCc1cc(C)nc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C13H14N6O3/c1-7-5-8(2)16-13(15-7)18-17-12(20)9-3-4-10(14)11(6-9)19(21)22/h3-6H,14H2,1-2H3,(H,17,20)(H,15,16,18)
InChIKeyPUMSKBRNJGVMCD-UHFFFAOYSA-N
XLogP1.34
TPSA136.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-nitrobenzamide
CID 115661232
4-amino-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-nitrobenzamide
CID 49082954
4-amino-N-(1-amino-1-oxopropan-2-yl)-3-nitrobenzamide
CID 60698727
bis(4-amino-3-nitrophenyl)methanone;dihydrochloride
CID 143823291
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
4-amino-3-nitro-N-(1,2,4-triazin-3-yl)benzamide
CID 114389514
4-amino-N-(5-methylhexan-2-yl)-3-nitrobenzamide
CID 60715123
4-amino-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 62154951
ethyl 4-[(4-amino-3-nitrobenzoyl)amino]benzoate
CID 8885571
4-amino-N-(5-chloro-2-methylphenyl)-3-nitrobenzamide
CID 7551668
N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 46656827
4-amino-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-nitrobenzamide
CID 43004313

Frequently Asked Questions

What is the IUPAC name of 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide?
The IUPAC name of 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide (CID 26120620) is 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide.
What is the SMILES notation for 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide?
The canonical SMILES for 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide is Cc1cc(C)nc(NNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n1.
What is the InChIKey of 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide?
The InChIKey is PUMSKBRNJGVMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O3/c1-7-5-8(2)16-13(15-7)18-17-12(20)9-3-4-10(14)11(6-9)19(21)22/h3-6H,14H2,1-2H3,(H,17,20)(H,15,16,18).
What are the key properties of 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide?
4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide has a molecular weight of 302.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N'-(4,6-dimethylpyrimidin-2-yl)-3-nitrobenzohydrazide is sourced from PubChem (CID 26120620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).