4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

C12H11ClN4O2 — CID 135536449

IUPAC4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1nc(Cl)cc(N/N=C/c2ccc(O)cc2O)n1
InChIInChI=1S/C12H11ClN4O2/c1-7-15-11(13)5-12(16-7)17-14-6-8-2-3-9(18)4-10(8)19/h2-6,18-19H,1H3,(H,15,16,17)/b14-6+
InChIKeyVWYCJNQDIVRTFD-MKMNVTDBSA-N
MW278.70 g/mol
LogP2.30
Rot. Bonds3

About 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 135536449) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID135536449
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1nc(Cl)cc(N/N=C/c2ccc(O)cc2O)n1
InChIInChI=1S/C12H11ClN4O2/c1-7-15-11(13)5-12(16-7)17-14-6-8-2-3-9(18)4-10(8)19/h2-6,18-19H,1H3,(H,15,16,17)/b14-6+
InChIKeyVWYCJNQDIVRTFD-MKMNVTDBSA-N
XLogP2.30
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

4-[(E)-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135443121
4-[(6-Chloro-pyridin-2-yl)-hydrazonomethyl]-benzene-1,3-diol
CID 135495440
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
2-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3099296
4-{[2-(2-Hydroxy-phenyl)-6-methyl-pyrimidin-4-yl]-hydrazonomethyl}-benzene-1,3-diol
CID 135443067
4-[(E)-{2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135517105
4-Hydroxybenzaldehyde (6-chloro-2-methyl-4-pyrimidinyl)hydrazone
CID 135504504
4-[(Z)-[(2,6-dimorpholinopyrimidin-4-yl)hydrazono]methyl]benzene-1,3-diol
CID 135497971
2-[[[2,6-Bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene]methyl]-4-chlorophenol
CID 2851565
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
CID 155541915
4-[(E)-{2-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]hydrazinylidene}methyl]benzene-1,3-diol
CID 135601209
2-[(E)-{2-[2,6-bis(dimethylamino)pyrimidin-4-yl]hydrazinylidene}methyl]-4-chlorophenol
CID 135459087

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 135536449) is 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is Cc1nc(Cl)cc(N/N=C/c2ccc(O)cc2O)n1.
What is the InChIKey of 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is VWYCJNQDIVRTFD-MKMNVTDBSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c1-7-15-11(13)5-12(16-7)17-14-6-8-2-3-9(18)4-10(8)19/h2-6,18-19H,1H3,(H,15,16,17)/b14-6+.
What are the key properties of 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 278.70 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 135536449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).