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

C20H19ClN4O2 — CID 136787647

IUPAC2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)n1
InChIInChI=1S/C20H19ClN4O2/c1-2-16-11-19(26)24-20(23-16)25-22-12-15-8-9-18(17(21)10-15)27-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H2,23,24,25,26)/b22-12-
InChIKeyYHDMJDMZXGJRIU-UUYOSTAYSA-N
MW382.85 g/mol
LogP4.01
Rot. Bonds7

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

2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 136787647) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID136787647
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)n1
InChIInChI=1S/C20H19ClN4O2/c1-2-16-11-19(26)24-20(23-16)25-22-12-15-8-9-18(17(21)10-15)27-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H2,23,24,25,26)/b22-12-
InChIKeyYHDMJDMZXGJRIU-UUYOSTAYSA-N
XLogP4.01
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.01
H-Bond Donors ≤ 52
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

N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110507323
4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787598
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
2-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135611327
4-ethyl-2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787660
2-[(2Z)-2-[(3-chloro-4-propoxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788332
4-ethyl-2-[(2Z)-2-[(2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787707
2-[(2Z)-2-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787634
2-[(2E)-2-[[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136733369
N-[(Z)-(3-chloro-4-ethoxyphenyl)methylideneamino]-1H-benzimidazol-2-amine
CID 110514872
4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787623
2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135893842

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one (CID 136787647) is 2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)n1.
What is the InChIKey of 2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is YHDMJDMZXGJRIU-UUYOSTAYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-16-11-19(26)24-20(23-16)25-22-12-15-8-9-18(17(21)10-15)27-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H2,23,24,25,26)/b22-12-.
What are the key properties of 2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 382.85 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(3-chloro-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136787647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).