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

C9H14N4O — CID 135521075

IUPAC2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(C)=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O/c1-4-6(2)12-13-9-10-7(3)5-8(14)11-9/h5H,4H2,1-3H3,(H2,10,11,13,14)
InChIKeyYMQFMTLSLUSZMM-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.28
Rot. Bonds3

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

2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135521075) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135521075
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCC(C)=NNc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O/c1-4-6(2)12-13-9-10-7(3)5-8(14)11-9/h5H,4H2,1-3H3,(H2,10,11,13,14)
InChIKeyYMQFMTLSLUSZMM-UHFFFAOYSA-N
XLogP1.28
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.28
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

4-methyl-2-[2-(4-methylpentan-2-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135435247
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
2-[(2E)-2-[1-(4-ethylphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135458782
N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)nitrous amide
CID 137229327
2-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135465283
2-[(2Z)-2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824144
2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135435551
2-(ethylamino)-4-methyl-1H-pyrimidin-6-one
CID 135840406
2-[(2Z)-2-[1-(3-chlorophenyl)ethylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824185
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one (CID 135521075) is 2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one is CCC(C)=NNc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YMQFMTLSLUSZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-4-6(2)12-13-9-10-7(3)5-8(14)11-9/h5H,4H2,1-3H3,(H2,10,11,13,14).
What are the key properties of 2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135521075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).