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

C10H14N4O — CID 135517199

IUPAC2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N4O/c1-6-5-9(15)12-10(11-6)14-13-7(2)8-3-4-8/h5,8H,3-4H2,1-2H3,(H2,11,12,14,15)/b13-7+
InChIKeyKMYMCJIUHIGRCC-NTUHNPAUSA-N
MW206.25 g/mol
LogP1.28
Rot. Bonds3

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

2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135517199) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135517199
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESC/C(=N\Nc1nc(C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N4O/c1-6-5-9(15)12-10(11-6)14-13-7(2)8-3-4-8/h5,8H,3-4H2,1-2H3,(H2,11,12,14,15)/b13-7+
InChIKeyKMYMCJIUHIGRCC-NTUHNPAUSA-N
XLogP1.28
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
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

6-Methyl-2-[2-(2-methylcyclohexylidene)hydrazin-1-yl]pyrimidin-4-ol
CID 135400643
2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135401282
4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460318
2-[(2E)-2-(Butan-2-ylidene)hydrazin-1-yl]-6-methylpyrimidin-4(1H)-one
CID 135491016
Nsc75870
CID 135747237
Nsc81230
CID 136187465
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
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
4-methyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460316

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135517199) is 2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is C/C(=N\Nc1nc(C)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KMYMCJIUHIGRCC-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H14N4O/c1-6-5-9(15)12-10(11-6)14-13-7(2)8-3-4-8/h5,8H,3-4H2,1-2H3,(H2,11,12,14,15)/b13-7+.
What are the key properties of 2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2E)-2-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 206.25 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-(1-cyclopropylethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135517199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).