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

C9H14N4O — CID 135491017

IUPAC2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCC/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O/c1-3-4-5-10-13-9-11-7(2)6-8(14)12-9/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14)/b10-5+
InChIKeySCUVALLYEMXGDP-BJMVGYQFSA-N
MW194.24 g/mol
LogP1.28
Rot. Bonds4

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

2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135491017) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135491017
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCCC/C=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C9H14N4O/c1-3-4-5-10-13-9-11-7(2)6-8(14)12-9/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14)/b10-5+
InChIKeySCUVALLYEMXGDP-BJMVGYQFSA-N
XLogP1.28
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

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
2-[(2E)-2-[(2E)-but-2-en-1-ylidene]hydrazin-1-yl]-6-methylpyrimidin-4-ol
CID 135871326
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
Hexanal, 4-oxo-6-methylpyrimidin-2-ylhydrazone (keto form)
CID 135418537
2-(2-but-2-enylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
CID 135460192
4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460316
N-[4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 135478740

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135491017) is 2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one is CCC/C=N/Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is SCUVALLYEMXGDP-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-4-5-10-13-9-11-7(2)6-8(14)12-9/h5-6H,3-4H2,1-2H3,(H2,11,12,13,14)/b10-5+.
What are the key properties of 2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-butylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).