4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one

C11H18N4O — CID 135435247

IUPAC4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCC(CC(C)C)=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7(2)5-9(4)14-15-11-12-8(3)6-10(16)13-11/h6-7H,5H2,1-4H3,(H2,12,13,15,16)
InChIKeyAOZYBNVRQPUAAG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.91
Rot. Bonds4

About 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135435247) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135435247
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCC(CC(C)C)=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-7(2)5-9(4)14-15-11-12-8(3)6-10(16)13-11/h6-7H,5H2,1-4H3,(H2,12,13,15,16)
InChIKeyAOZYBNVRQPUAAG-UHFFFAOYSA-N
XLogP1.91
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
CID 135521075
4-methyl-2-[(2Z)-2-(3-oxobutan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460315
(2E)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]propanoate
CID 135593603
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide
CID 137229327
2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135458782
2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135465283
2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135435551
2-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824185
2-[(2Z)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824144
2-[(2E)-2-[1-(5-chloro-2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824258
2-[(2E)-2-[(E)-1,3-diphenylbut-2-enylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136795191
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135468165

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 135435247) is 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one is CC(CC(C)C)=NNc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is AOZYBNVRQPUAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7(2)5-9(4)14-15-11-12-8(3)6-10(16)13-11/h6-7H,5H2,1-4H3,(H2,12,13,15,16).
What are the key properties of 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135435247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).