2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol

C12H16N4O2 — CID 135484926

IUPAC2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/NC2=NCCCN2)ccc1O
InChIInChI=1S/C12H16N4O2/c1-18-11-7-9(3-4-10(11)17)8-15-16-12-13-5-2-6-14-12/h3-4,7-8,17H,2,5-6H2,1H3,(H2,13,14,16)/b15-8+
InChIKeyCOCGAXSJUULIDQ-OVCLIPMQSA-N
MW248.29 g/mol
LogP0.67
Rot. Bonds3

About 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol

2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135484926) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135484926
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol
SMILESCOc1cc(/C=N/NC2=NCCCN2)ccc1O
InChIInChI=1S/C12H16N4O2/c1-18-11-7-9(3-4-10(11)17)8-15-16-12-13-5-2-6-14-12/h3-4,7-8,17H,2,5-6H2,1H3,(H2,13,14,16)/b15-8+
InChIKeyCOCGAXSJUULIDQ-OVCLIPMQSA-N
XLogP0.67
TPSA78.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(2-hydroxy-3-methoxyphenyl)methylene]-N-(3-methoxypropyl)hydrazine-1-carbothioamide
CID 135452584
2-Methoxy-4-[(4,5,6,7-tetrahydro-3H-azepin-2-yl)-hydrazonomethyl]-phenol
CID 135576363
Hydrazinecarbothioamide, 2-[(4-hydroxy-3-methoxyphenyl)methylene]-
CID 135434842
5-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazinyl]-6-methyl-1,2,4-triazin-3-ol
CID 135412161
4-[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl]pyrimidin-2(1H)-one
CID 135614898
1-cyclohexyl-3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135616073
1-butyl-3-[[(E)-(5-ethoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
CID 135676295
3-Hydroxy-4-Methoxybenzaldehyde Thiosemicarbazone
CID 6870649
Semicarbazide, 1-(4-hydroxy-3-methoxybenzylidene)-3-thio-
CID 135704545
3-Ethoxy-4-hydroxybenzaldehyde (4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazone
CID 135470891
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(2-morpholin-4-ylethyl)thiourea
CID 135521471
1-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-[2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-yl]thiourea
CID 136502286

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol (CID 135484926) is 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol is COc1cc(/C=N/NC2=NCCCN2)ccc1O.
What is the InChIKey of 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is COCGAXSJUULIDQ-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-18-11-7-9(3-4-10(11)17)8-15-16-12-13-5-2-6-14-12/h3-4,7-8,17H,2,5-6H2,1H3,(H2,13,14,16)/b15-8+.
What are the key properties of 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol?
2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 248.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-(1,4,5,6-tetrahydropyrimidin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135484926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).