[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate

C18H20N4O3 — CID 9013763

IUPAC[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
SMILESCOc1cc(/C=N\Nc2nc(C)cc(C)n2)ccc1OC(=O)C1CC1
InChIInChI=1S/C18H20N4O3/c1-11-8-12(2)21-18(20-11)22-19-10-13-4-7-15(16(9-13)24-3)25-17(23)14-5-6-14/h4,7-10,14H,5-6H2,1-3H3,(H,20,21,22)/b19-10-
InChIKeyQDOAUYGXXUBMAU-GRSHGNNSSA-N
MW340.38 g/mol
LogP2.86
Rot. Bonds6

About [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate

[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate (PubChem CID 9013763) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
PubChem CID9013763
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
SMILESCOc1cc(/C=N\Nc2nc(C)cc(C)n2)ccc1OC(=O)C1CC1
InChIInChI=1S/C18H20N4O3/c1-11-8-12(2)21-18(20-11)22-19-10-13-4-7-15(16(9-13)24-3)25-17(23)14-5-6-14/h4,7-10,14H,5-6H2,1-3H3,(H,20,21,22)/b19-10-
InChIKeyQDOAUYGXXUBMAU-GRSHGNNSSA-N
XLogP2.86
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9234824
[2-methoxy-4-[(E)-[(8-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
CID 53265708
[2-methoxy-4-[(phenylhydrazinylidene)methyl]phenyl] cyclohexanecarboxylate
CID 169383112
[2-methoxy-4-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] cyclopropanecarboxylate
CID 9015267
[4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 1180428
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013570
2-[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetonitrile
CID 9013827
[2-methoxy-4-[(Z)-[[(1R,2R)-2-methylcyclohexyl]carbamothioylhydrazinylidene]methyl]phenyl] cyclopropanecarboxylate
CID 9122345
[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9175017
2-[4-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N-(2-methylphenyl)acetamide
CID 126020516
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate
CID 9357789
N-[[4-[(4-tert-butylphenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4662120

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The IUPAC name of [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate (CID 9013763) is [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate.
What is the SMILES notation for [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The canonical SMILES for [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate is COc1cc(/C=N\Nc2nc(C)cc(C)n2)ccc1OC(=O)C1CC1.
What is the InChIKey of [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
The InChIKey is QDOAUYGXXUBMAU-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-8-12(2)21-18(20-11)22-19-10-13-4-7-15(16(9-13)24-3)25-17(23)14-5-6-14/h4,7-10,14H,5-6H2,1-3H3,(H,20,21,22)/b19-10-.
What are the key properties of [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate?
[4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate has a molecular weight of 340.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methoxyphenyl] cyclopropanecarboxylate is sourced from PubChem (CID 9013763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).