2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol

C12H12N4O2 — CID 135421713

IUPAC2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(N/N=C/c2ccccc2O)ncn1
InChIInChI=1S/C12H12N4O2/c1-18-12-6-11(13-8-14-12)16-15-7-9-4-2-3-5-10(9)17/h2-8,17H,1H3,(H,13,14,16)/b15-7+
InChIKeyKWHBUWIPMKCGAI-VIZOYTHASA-N
MW244.25 g/mol
LogP1.64
Rot. Bonds4

About 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol

2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 135421713) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID135421713
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(N/N=C/c2ccccc2O)ncn1
InChIInChI=1S/C12H12N4O2/c1-18-12-6-11(13-8-14-12)16-15-7-9-4-2-3-5-10(9)17/h2-8,17H,1H3,(H,13,14,16)/b15-7+
InChIKeyKWHBUWIPMKCGAI-VIZOYTHASA-N
XLogP1.64
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

4-Methoxybenzaldehyde [2,6-bis(dimethylamino)-4-pyrimidinyl]hydrazone
CID 9586074
2-Hydroxy-3-methoxybenzaldehyde [6-(4-morpholinyl)-4-pyrimidinyl]hydrazone
CID 135421709
N-[(E)-(2-methoxyphenyl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 6866645
2-[[(2-Methyl-6-piperidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3099296
4-Methoxybenzaldehyde (2,6-di-1-pyrrolidinyl-4-pyrimidinyl)hydrazone
CID 5334618
4-Methoxybenzaldehyde (6-methoxy-4-pyrimidinyl)hydrazone
CID 5338831
4-Methoxybenzaldehyde (2-amino-6-methyl-4-pyrimidinyl)hydrazone
CID 5350050
6-[(2E)-2-[(2-Methoxyphenyl)methylidene]hydrazin-1-YL]-N2,N2,N4,N4-tetramethylpyrimidine-2,4-diamine
CID 9698414
2-[(E)-{2-[2,6-di(pyrrolidin-1-yl)pyrimidin-4-yl]hydrazinylidene}methyl]phenol
CID 135425063
2-[(6-Morpholin-4-yl-pyrimidin-4-yl)-hydrazonomethyl]-5-propoxy-phenol
CID 135443118
5-Ethoxy-2-[(6-morpholin-4-yl-pyrimidin-4-yl)-hydrazonomethyl]-phenol
CID 135443119
2-Hydroxy-3-methoxybenzaldehyde (6-chloro-2-methyl-4-pyrimidinyl)hydrazone
CID 135452765

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol (CID 135421713) is 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol is COc1cc(N/N=C/c2ccccc2O)ncn1.
What is the InChIKey of 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is KWHBUWIPMKCGAI-VIZOYTHASA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-12-6-11(13-8-14-12)16-15-7-9-4-2-3-5-10(9)17/h2-8,17H,1H3,(H,13,14,16)/b15-7+.
What are the key properties of 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol?
2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 244.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135421713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).