2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol

C12H12ClN5O2 — CID 135521558

IUPAC2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2ncnc(Cl)c2N)c1O
InChIInChI=1S/C12H12ClN5O2/c1-20-8-4-2-3-7(10(8)19)5-17-18-12-9(14)11(13)15-6-16-12/h2-6,19H,14H2,1H3,(H,15,16,18)/b17-5+
InChIKeyLWVGPJZEDBOXHD-YAXRCOADSA-N
MW293.71 g/mol
LogP1.87
Rot. Bonds4

About 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol

2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol (PubChem CID 135521558) has the molecular formula C12H12ClN5O2 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
PubChem CID135521558
Molecular FormulaC12H12ClN5O2
Molecular Weight293.71 g/mol
Exact Mass293.07
IUPAC Name2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/Nc2ncnc(Cl)c2N)c1O
InChIInChI=1S/C12H12ClN5O2/c1-20-8-4-2-3-7(10(8)19)5-17-18-12-9(14)11(13)15-6-16-12/h2-6,19H,14H2,1H3,(H,15,16,18)/b17-5+
InChIKeyLWVGPJZEDBOXHD-YAXRCOADSA-N
XLogP1.87
TPSA105.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-methoxy-6-[(E)-[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135421709
4-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 135460447
4-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-5-nitropyrimidine-4,6-diamine
CID 9649067
2-{(1E)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-2-azavinyl}-6-methoxyphenol
CID 135452765
4-[(5-Amino-6-chloro-pyrimidin-4-yl)-hydrazonomethyl]-2-ethoxy-phenol
CID 135497937
3-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 9685289
4-{(E)-[2-(2-amino-6-methylpyrimidin-4-yl)hydrazinylidene]methyl}-2-methoxyphenol
CID 135648201
4-chloro-6-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]pyrimidin-5-amine
CID 9685297
2-Methoxy-6-({2-(4-[trifluoromethyl]pyrimidin-2-yl)hydrazono}methyl)phenol
CID 146171417
6-chloro-N4-[(3,4-dimethoxyphenyl)methylideneamino]pyrimidine-4,5-diamine
CID 4894174
2-[[(5-Amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 4885862
4-[(E)-[(6-amino-5-nitropyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135606748

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The IUPAC name of 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol (CID 135521558) is 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol is COc1cccc(/C=N/Nc2ncnc(Cl)c2N)c1O.
What is the InChIKey of 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol?
The InChIKey is LWVGPJZEDBOXHD-YAXRCOADSA-N. The full InChI is InChI=1S/C12H12ClN5O2/c1-20-8-4-2-3-7(10(8)19)5-17-18-12-9(14)11(13)15-6-16-12/h2-6,19H,14H2,1H3,(H,15,16,18)/b17-5+.
What are the key properties of 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol?
2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol has a molecular weight of 293.71 g/mol, XLogP of 1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol is sourced from PubChem (CID 135521558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).