4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C18H18N4O2 — CID 136787623

IUPAC4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N/N=C\c2c(OC)ccc3ccccc23)n1
InChIInChI=1S/C18H18N4O2/c1-3-13-10-17(23)21-18(20-13)22-19-11-15-14-7-5-4-6-12(14)8-9-16(15)24-2/h4-11H,3H2,1-2H3,(H2,20,21,22,23)/b19-11-
InChIKeyZKHKDODHNBIZAN-ODLFYWEKSA-N
MW322.37 g/mol
LogP2.94
Rot. Bonds5

About 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 136787623) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID136787623
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(N/N=C\c2c(OC)ccc3ccccc23)n1
InChIInChI=1S/C18H18N4O2/c1-3-13-10-17(23)21-18(20-13)22-19-11-15-14-7-5-4-6-12(14)8-9-16(15)24-2/h4-11H,3H2,1-2H3,(H2,20,21,22,23)/b19-11-
InChIKeyZKHKDODHNBIZAN-ODLFYWEKSA-N
XLogP2.94
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.94
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

2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920869
2-[(2Z)-2-[(4-ethoxy-3,5-dimethoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787545
4-ethyl-2-[(2Z)-2-[(3-methoxy-2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787587
4-ethyl-2-[(2Z)-2-[(4-methoxy-3-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787660
4-ethyl-2-[(2Z)-2-[(3-methoxy-4-pentoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787598
4-ethyl-2-[(2Z)-2-[(2-propoxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787707
2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697091
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
2-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454039
2-[(2Z)-2-[(3,5-dibromo-2-methoxyphenyl)methylidene]hydrazinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136787540
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

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 136787623) is 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(N/N=C\c2c(OC)ccc3ccccc23)n1.
What is the InChIKey of 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is ZKHKDODHNBIZAN-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-3-13-10-17(23)21-18(20-13)22-19-11-15-14-7-5-4-6-12(14)8-9-16(15)24-2/h4-11H,3H2,1-2H3,(H2,20,21,22,23)/b19-11-.
What are the key properties of 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 322.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2Z)-2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136787623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).