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

C17H22N4O2 — CID 136726343

IUPAC4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCCCCCOc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C17H22N4O2/c1-3-4-5-10-23-15-8-6-14(7-9-15)12-18-21-17-19-13(2)11-16(22)20-17/h6-9,11-12H,3-5,10H2,1-2H3,(H2,19,20,21,22)/b18-12+
InChIKeyPTYKVDAFYJLISA-LDADJPATSA-N
MW314.39 g/mol
LogP3.09
Rot. Bonds8

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

4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 136726343) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID136726343
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCCCCCOc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1
InChIInChI=1S/C17H22N4O2/c1-3-4-5-10-23-15-8-6-14(7-9-15)12-18-21-17-19-13(2)11-16(22)20-17/h6-9,11-12H,3-5,10H2,1-2H3,(H2,19,20,21,22)/b18-12+
InChIKeyPTYKVDAFYJLISA-LDADJPATSA-N
XLogP3.09
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136732880
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
2-[(2E)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136733342
4-propan-2-yl-2-[(2Z)-2-[(4-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136788013
2-[2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135481281
6-methyl-N-[(Z)-(4-pentoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110511992
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
3-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 136732879
N-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]phenyl]acetamide
CID 135509500
6-methyl-5-[(2Z)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
CID 7231540
4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 86207768
2-[(2E)-2-[(3-butoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733657

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 136726343) is 4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is CCCCCOc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is PTYKVDAFYJLISA-LDADJPATSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-4-5-10-23-15-8-6-14(7-9-15)12-18-21-17-19-13(2)11-16(22)20-17/h6-9,11-12H,3-5,10H2,1-2H3,(H2,19,20,21,22)/b18-12+.
What are the key properties of 4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 314.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E)-2-[(4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136726343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).