4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C19H26N4O3 — CID 136787598

IUPAC4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCCCCCOc1ccc(/C=N\Nc2nc(CC)cc(=O)[nH]2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-4-6-7-10-26-16-9-8-14(11-17(16)25-3)13-20-23-19-21-15(5-2)12-18(24)22-19/h8-9,11-13H,4-7,10H2,1-3H3,(H2,21,22,23,24)/b20-13-
InChIKeyYEYNFBASOXHEQK-MOSHPQCFSA-N
MW358.44 g/mol
LogP3.36
Rot. Bonds10

About 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 136787598) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID136787598
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCCCCCOc1ccc(/C=N\Nc2nc(CC)cc(=O)[nH]2)cc1OC
InChIInChI=1S/C19H26N4O3/c1-4-6-7-10-26-16-9-8-14(11-17(16)25-3)13-20-23-19-21-15(5-2)12-18(24)22-19/h8-9,11-13H,4-7,10H2,1-3H3,(H2,21,22,23,24)/b20-13-
InChIKeyYEYNFBASOXHEQK-MOSHPQCFSA-N
XLogP3.36
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135598816
2-[(2E)-2-[(4-butoxy-3-methoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136733214
3-[(2E)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136733216
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788020
4-ethyl-2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787660
2-[(2Z)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787545
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920862
2-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135510184
4-ethyl-2-[(2Z)-2-[(2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787707
2-[(2E)-2-[(4-butoxyphenyl)methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 136732880
2-[2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168570990
4-ethyl-2-[(2Z)-2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787587

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 136787598) is 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is CCCCCOc1ccc(/C=N\Nc2nc(CC)cc(=O)[nH]2)cc1OC.
What is the InChIKey of 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is YEYNFBASOXHEQK-MOSHPQCFSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-6-7-10-26-16-9-8-14(11-17(16)25-3)13-20-23-19-21-15(5-2)12-18(24)22-19/h8-9,11-13H,4-7,10H2,1-3H3,(H2,21,22,23,24)/b20-13-.
What are the key properties of 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 358.44 g/mol, XLogP of 3.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136787598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).