2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one

C18H23ClN4O3 — CID 136787634

IUPAC2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCCOc1c(Cl)cc(/C=N\Nc2nc(CC)cc(=O)[nH]2)cc1OCC
InChIInChI=1S/C18H23ClN4O3/c1-4-7-26-17-14(19)8-12(9-15(17)25-6-3)11-20-23-18-21-13(5-2)10-16(24)22-18/h8-11H,4-7H2,1-3H3,(H2,21,22,23,24)/b20-11-
InChIKeyONFJHDWXOSJYOT-JAIQZWGSSA-N
MW378.86 g/mol
LogP3.62
Rot. Bonds9

About 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one

2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136787634) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID136787634
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC Name2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCCOc1c(Cl)cc(/C=N\Nc2nc(CC)cc(=O)[nH]2)cc1OCC
InChIInChI=1S/C18H23ClN4O3/c1-4-7-26-17-14(19)8-12(9-15(17)25-6-3)11-20-23-18-21-13(5-2)10-16(24)22-18/h8-11H,4-7H2,1-3H3,(H2,21,22,23,24)/b20-11-
InChIKeyONFJHDWXOSJYOT-JAIQZWGSSA-N
XLogP3.62
TPSA88.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136787034
2-[(2Z)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787545
2-[(2Z)-2-[(3,4-diethoxy-5-nitrophenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787628
4-ethyl-2-[(2Z)-2-[(2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787707
3-[(2E)-2-[[3-chloro-5-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 136788952
4-ethyl-2-[(2Z)-2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787587
4-chloro-N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110506129
4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787598
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110514856
2-[(2Z)-2-[(2,4-diethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787651
2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787647
N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-6-methyl-2-oxo-1H-pyrimidine-4-carboxamide
CID 110526005

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one (CID 136787634) is 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one is CCCOc1c(Cl)cc(/C=N\Nc2nc(CC)cc(=O)[nH]2)cc1OCC.
What is the InChIKey of 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is ONFJHDWXOSJYOT-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H23ClN4O3/c1-4-7-26-17-14(19)8-12(9-15(17)25-6-3)11-20-23-18-21-13(5-2)10-16(24)22-18/h8-11H,4-7H2,1-3H3,(H2,21,22,23,24)/b20-11-.
What are the key properties of 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 378.86 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136787634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).