N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide

C8H12N4O — CID 685250

IUPACN'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide
SMILESCC(=O)NNc1nc(C)cc(C)n1
InChIInChI=1S/C8H12N4O/c1-5-4-6(2)10-8(9-5)12-11-7(3)13/h4H,1-3H3,(H,11,13)(H,9,10,12)
InChIKeyJEJNMUAFUCSXCU-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.56
Rot. Bonds2

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

N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide (PubChem CID 685250) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide
PubChem CID685250
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide
SMILESCC(=O)NNc1nc(C)cc(C)n1
InChIInChI=1S/C8H12N4O/c1-5-4-6(2)10-8(9-5)12-11-7(3)13/h4H,1-3H3,(H,11,13)(H,9,10,12)
InChIKeyJEJNMUAFUCSXCU-UHFFFAOYSA-N
XLogP0.56
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide (CID 685250) is N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide is CC(=O)NNc1nc(C)cc(C)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide?
The InChIKey is JEJNMUAFUCSXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5-4-6(2)10-8(9-5)12-11-7(3)13/h4H,1-3H3,(H,11,13)(H,9,10,12).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide has a molecular weight of 180.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)acetohydrazide is sourced from PubChem (CID 685250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).