N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide

C14H15N5O2 — CID 135509500

IUPACN-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H15N5O2/c1-9-7-13(21)18-14(16-9)19-15-8-11-3-5-12(6-4-11)17-10(2)20/h3-8H,1-2H3,(H,17,20)(H2,16,18,19,21)/b15-8+
InChIKeyZESCWKVHDMIXFJ-OVCLIPMQSA-N
MW285.31 g/mol
LogP1.48
Rot. Bonds4

About N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide

N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide (PubChem CID 135509500) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide
PubChem CID135509500
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC NameN-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C14H15N5O2/c1-9-7-13(21)18-14(16-9)19-15-8-11-3-5-12(6-4-11)17-10(2)20/h3-8H,1-2H3,(H,17,20)(H2,16,18,19,21)/b15-8+
InChIKeyZESCWKVHDMIXFJ-OVCLIPMQSA-N
XLogP1.48
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 86207768
2-[(2Z)-2-[(3,4-difluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135722664
2-[(2Z)-2-(2,3-dihydro-1H-inden-5-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136690088
4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136726343
2-[(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135691059
2-[2-methoxy-4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 136740591
[2,6-dimethoxy-4-[(Z)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl] acetate
CID 135824275
2-[2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135481281
2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135693146
4-methyl-2-[(2E)-2-[(3,4,5-trimethoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135512705

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide (CID 135509500) is N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide?
The InChIKey is ZESCWKVHDMIXFJ-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-7-13(21)18-14(16-9)19-15-8-11-3-5-12(6-4-11)17-10(2)20/h3-8H,1-2H3,(H,17,20)(H2,16,18,19,21)/b15-8+.
What are the key properties of N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide?
N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide has a molecular weight of 285.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide is sourced from PubChem (CID 135509500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).