4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol

C18H17N7O2 — CID 136932712

IUPAC4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESNc1nc(N/N=C/c2ccc(O)cc2)cc(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C18H17N7O2/c19-18-22-16(24-20-10-12-1-5-14(26)6-2-12)9-17(23-18)25-21-11-13-3-7-15(27)8-4-13/h1-11,26-27H,(H4,19,22,23,24,25)/b20-10+,21-11+
InChIKeyCAOYMOANDOSIAR-CLVAPQHMSA-N
MW363.38 g/mol
LogP2.36
Rot. Bonds6

About 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol

4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 136932712) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID136932712
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESNc1nc(N/N=C/c2ccc(O)cc2)cc(N/N=C/c2ccc(O)cc2)n1
InChIInChI=1S/C18H17N7O2/c19-18-22-16(24-20-10-12-1-5-14(26)6-2-12)9-17(23-18)25-21-11-13-3-7-15(27)8-4-13/h1-11,26-27H,(H4,19,22,23,24,25)/b20-10+,21-11+
InChIKeyCAOYMOANDOSIAR-CLVAPQHMSA-N
XLogP2.36
TPSA141.04 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 136932712) is 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol is Nc1nc(N/N=C/c2ccc(O)cc2)cc(N/N=C/c2ccc(O)cc2)n1.
What is the InChIKey of 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is CAOYMOANDOSIAR-CLVAPQHMSA-N. The full InChI is InChI=1S/C18H17N7O2/c19-18-22-16(24-20-10-12-1-5-14(26)6-2-12)9-17(23-18)25-21-11-13-3-7-15(27)8-4-13/h1-11,26-27H,(H4,19,22,23,24,25)/b20-10+,21-11+.
What are the key properties of 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 363.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[[2-amino-6-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 136932712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).