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

C11H18N4O — CID 135418537

IUPAC2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCCCC/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-3-4-5-6-7-12-15-11-13-9(2)8-10(16)14-11/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)/b12-7+
InChIKeyXQJXFRREHXVMNQ-KPKJPENVSA-N
MW222.29 g/mol
LogP2.06
Rot. Bonds6

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

2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135418537) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135418537
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCCCC/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-3-4-5-6-7-12-15-11-13-9(2)8-10(16)14-11/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)/b12-7+
InChIKeyXQJXFRREHXVMNQ-KPKJPENVSA-N
XLogP2.06
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135401282
2-((E)-2-((E)-but-2-en-1-ylidene)hydrazinyl)-6-methylpyrimidin-4-ol
CID 135472837
2-[(2E)-2-(Butan-2-ylidene)hydrazin-1-yl]-6-methylpyrimidin-4(1H)-one
CID 135491016
Nsc75870
CID 135747237
Nsc81230
CID 136187465
(E)-2-(2-(cyclohex-3-en-1-ylmethylene)hydrazinyl)-6-methylpyrimidin-4(3H)-one
CID 135412012
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
2-(2-Isopropylidenehydrazino)-6-methylpyrimidin-4-ol
CID 135460313
6-Methyl-2-[(2E)-2-(pentan-2-ylidene)hydrazin-1-yl]pyrimidin-4(1H)-one
CID 135460317
2-(2-cyclopentylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
CID 135488546

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135418537) is 2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one is CCCCC/C=N/Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is XQJXFRREHXVMNQ-KPKJPENVSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-4-5-6-7-12-15-11-13-9(2)8-10(16)14-11/h7-8H,3-6H2,1-2H3,(H2,13,14,15,16)/b12-7+.
What are the key properties of 2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-hexylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).