2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide

C13H16N6O — CID 134219293

IUPAC2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide
SMILESCN(C)c1ncc(-c2ccc(N)c(C(=O)NN)c2)cn1
InChIInChI=1S/C13H16N6O/c1-19(2)13-16-6-9(7-17-13)8-3-4-11(14)10(5-8)12(20)18-15/h3-7H,14-15H2,1-2H3,(H,18,20)
InChIKeyQJGFTCHLJSIZIY-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.40
Rot. Bonds3

About 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide

2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide (PubChem CID 134219293) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide.

Molecular Properties

Compound Name2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide
PubChem CID134219293
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide
SMILESCN(C)c1ncc(-c2ccc(N)c(C(=O)NN)c2)cn1
InChIInChI=1S/C13H16N6O/c1-19(2)13-16-6-9(7-17-13)8-3-4-11(14)10(5-8)12(20)18-15/h3-7H,14-15H2,1-2H3,(H,18,20)
InChIKeyQJGFTCHLJSIZIY-UHFFFAOYSA-N
XLogP0.40
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide?
The IUPAC name of 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide (CID 134219293) is 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide.
What is the SMILES notation for 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide?
The canonical SMILES for 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide is CN(C)c1ncc(-c2ccc(N)c(C(=O)NN)c2)cn1.
What is the InChIKey of 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide?
The InChIKey is QJGFTCHLJSIZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-19(2)13-16-6-9(7-17-13)8-3-4-11(14)10(5-8)12(20)18-15/h3-7H,14-15H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide?
2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide has a molecular weight of 272.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(dimethylamino)pyrimidin-5-yl]benzohydrazide is sourced from PubChem (CID 134219293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).