2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

C19H18N4O2 — CID 3754664

IUPAC2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCC(=NNc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1O
InChIInChI=1S/C19H18N4O2/c1-12-11-18(21-19(20-12)15-8-4-6-10-17(15)25)23-22-13(2)14-7-3-5-9-16(14)24/h3-11,24-25H,1-2H3,(H,20,21,23)
InChIKeyXJVPYGXUZHQAQH-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.70
Rot. Bonds4

About 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol

2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (PubChem CID 3754664) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
PubChem CID3754664
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
SMILESCC(=NNc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1O
InChIInChI=1S/C19H18N4O2/c1-12-11-18(21-19(20-12)15-8-4-6-10-17(15)25)23-22-13(2)14-7-3-5-9-16(14)24/h3-11,24-25H,1-2H3,(H,20,21,23)
InChIKeyXJVPYGXUZHQAQH-UHFFFAOYSA-N
XLogP3.70
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.70
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol (CID 3754664) is 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is CC(=NNc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1O.
What is the InChIKey of 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
The InChIKey is XJVPYGXUZHQAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-11-18(21-19(20-12)15-8-4-6-10-17(15)25)23-22-13(2)14-7-3-5-9-16(14)24/h3-11,24-25H,1-2H3,(H,20,21,23).
What are the key properties of 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol?
2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol has a molecular weight of 334.38 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol is sourced from PubChem (CID 3754664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).