4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one

C8H12N4O — CID 135460313

IUPAC4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one
SMILESCC(C)=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O/c1-5(2)11-12-8-9-6(3)4-7(13)10-8/h4H,1-3H3,(H2,9,10,12,13)
InChIKeyOMWFEMCUDFNQCW-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.89
Rot. Bonds2

About 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one

4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one (PubChem CID 135460313) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one
PubChem CID135460313
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one
SMILESCC(C)=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C8H12N4O/c1-5(2)11-12-8-9-6(3)4-7(13)10-8/h4H,1-3H3,(H2,9,10,12,13)
InChIKeyOMWFEMCUDFNQCW-UHFFFAOYSA-N
XLogP0.89
TPSA70.14 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 ≤ 50.89
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-Hydrazinyl-6-methylpyrimidin-4-ol
CID 135399119
2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135401282
1-Cyclopropylethanone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135517199
2-((E)-2-((E)-but-2-en-1-ylidene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135472837
(Z)-2-(2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazono)propanoic acid
CID 135485441
2-[(2E)-2-(Butan-2-ylidene)hydrazin-1-yl]-6-methylpyrimidin-4(1H)-one
CID 135491016
Nsc75870
CID 135747237
Nsc81230
CID 136187465
2-Hydrazinyl-6-methyl-3,4-dihydropyrimidin-4-one hydrochloride
CID 137231804
4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135675976
2-[(2E)-2-[(2E)-but-2-en-1-ylidene]hydrazin-1-yl]-6-methylpyrimidin-4-ol
CID 135871326
4-Methyl-2-pentanone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135429819

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one (CID 135460313) is 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one is CC(C)=NNc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one?
The InChIKey is OMWFEMCUDFNQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(2)11-12-8-9-6(3)4-7(13)10-8/h4H,1-3H3,(H2,9,10,12,13).
What are the key properties of 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one?
4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-propan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135460313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).