N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide

C8H12N4O2 — CID 135437413

IUPACN'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide
SMILESCC(=O)NNc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c1-4-5(2)9-8(10-7(4)14)12-11-6(3)13/h1-3H3,(H,11,13)(H2,9,10,12,14)
InChIKeyAEIUUBYAHZLTBK-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.15
Rot. Bonds2

About N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide

N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide (PubChem CID 135437413) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide.

Molecular Properties

Compound NameN'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide
PubChem CID135437413
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC NameN'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide
SMILESCC(=O)NNc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C8H12N4O2/c1-4-5(2)9-8(10-7(4)14)12-11-6(3)13/h1-3H3,(H,11,13)(H2,9,10,12,14)
InChIKeyAEIUUBYAHZLTBK-UHFFFAOYSA-N
XLogP-0.15
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
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'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide?
The IUPAC name of N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide (CID 135437413) is N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide.
What is the SMILES notation for N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide?
The canonical SMILES for N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide is CC(=O)NNc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide?
The InChIKey is AEIUUBYAHZLTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-4-5(2)9-8(10-7(4)14)12-11-6(3)13/h1-3H3,(H,11,13)(H2,9,10,12,14).
What are the key properties of N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide?
N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide has a molecular weight of 196.21 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)acetohydrazide is sourced from PubChem (CID 135437413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).