2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol

C19H18N4O — CID 135460419

IUPAC2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol
SMILESC/C(=N\Nc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1
InChIInChI=1S/C19H18N4O/c1-13-12-18(23-22-14(2)15-8-4-3-5-9-15)21-19(20-13)16-10-6-7-11-17(16)24/h3-12,24H,1-2H3,(H,20,21,23)/b22-14+
InChIKeyIFHWVZBKKYBLBP-HYARGMPZSA-N
MW318.38 g/mol
LogP3.99
Rot. Bonds4

About 2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol

2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol (PubChem CID 135460419) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol
PubChem CID135460419
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol
SMILESC/C(=N\Nc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1
InChIInChI=1S/C19H18N4O/c1-13-12-18(23-22-14(2)15-8-4-3-5-9-15)21-19(20-13)16-10-6-7-11-17(16)24/h3-12,24H,1-2H3,(H,20,21,23)/b22-14+
InChIKeyIFHWVZBKKYBLBP-HYARGMPZSA-N
XLogP3.99
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol (CID 135460419) is 2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol is C/C(=N\Nc1cc(C)nc(-c2ccccc2O)n1)c1ccccc1.
What is the InChIKey of 2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol?
The InChIKey is IFHWVZBKKYBLBP-HYARGMPZSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-12-18(23-22-14(2)15-8-4-3-5-9-15)21-19(20-13)16-10-6-7-11-17(16)24/h3-12,24H,1-2H3,(H,20,21,23)/b22-14+.
What are the key properties of 2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol?
2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol has a molecular weight of 318.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-[(2E)-2-(1-phenylethylidene)hydrazinyl]pyrimidin-2-yl]phenol is sourced from PubChem (CID 135460419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).