2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide

C8H12N4O2 — CID 63794211

IUPAC2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCc1cc(=O)n(CC(=O)NN)c(C)n1
InChIInChI=1S/C8H12N4O2/c1-5-3-8(14)12(6(2)10-5)4-7(13)11-9/h3H,4,9H2,1-2H3,(H,11,13)
InChIKeyOAOGGKNXWUAWKI-UHFFFAOYSA-N
MW196.21 g/mol
LogP-1.15
Rot. Bonds2

About 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide

2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide (PubChem CID 63794211) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide
PubChem CID63794211
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide
SMILESCc1cc(=O)n(CC(=O)NN)c(C)n1
InChIInChI=1S/C8H12N4O2/c1-5-3-8(14)12(6(2)10-5)4-7(13)11-9/h3H,4,9H2,1-2H3,(H,11,13)
InChIKeyOAOGGKNXWUAWKI-UHFFFAOYSA-N
XLogP-1.15
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
(6-Methyl-2-methylsulfanyl-4-oxo-3,4-dihydro-3-pyrimidinyl)acetic acid hydrazide
CID 15047493
N-ethyl-1,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 145802956
N,N-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175266463
2-(4-Methyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 63574135
2-(4-Methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63574136
2-(2,4-Dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 63770273
2-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63794209
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 63794210
4-(2,4-Dimethyl-6-oxopyrimidin-1-yl)butanehydrazide
CID 63794390
2-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)propanehydrazide
CID 79374418
2-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)acetohydrazide
CID 79374633

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide?
The IUPAC name of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide (CID 63794211) is 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide is Cc1cc(=O)n(CC(=O)NN)c(C)n1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide?
The InChIKey is OAOGGKNXWUAWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-3-8(14)12(6(2)10-5)4-7(13)11-9/h3H,4,9H2,1-2H3,(H,11,13).
What are the key properties of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide?
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide has a molecular weight of 196.21 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetohydrazide is sourced from PubChem (CID 63794211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).