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

C9H14N4O — CID 135491016

IUPAC2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC/C(C)=N/Nc1nc(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)/b12-6+
InChIKeyYMQFMTLSLUSZMM-WUXMJOGZSA-N
MW194.24 g/mol
LogP1.28
Rot. Bonds3

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

2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135491016) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135491016
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCC/C(C)=N/Nc1nc(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)/b12-6+
InChIKeyYMQFMTLSLUSZMM-WUXMJOGZSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135491016) is 2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one is CC/C(C)=N/Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is YMQFMTLSLUSZMM-WUXMJOGZSA-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)/b12-6+.
What are the key properties of 2-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-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-[(2E)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).