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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-{(6Z)-6-[(3-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
CID 719251
2-[4-(4-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719248
4-((1E)-2-{[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino}-2-azavinyl)-2-me thylbenzene-1,3-diol
CID 135443092
2-[4-(2-Fluoro-phenylamino)-6-methyl-pyrimidin-2-yl]-phenol
CID 719253
2-{(6Z)-6-[(4-chlorophenyl)imino]-4-methyl-1,6-dihydropyrimidin-2-yl}phenol
CID 719255
(6Z)-6-[4-(2-chloroanilino)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one
CID 719260
6-[4-(1-phenylethylamino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
CID 2884035
1-(4-Methoxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5332849
2-{(1E)-1-[2-(3-methylquinoxalin-2-yl)hydrazinylidene]ethyl}phenol
CID 135411632
2-Hydroxy-5-methoxybenzaldehyde (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135437629
1-(4-Hydroxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 135458773
4-{(E)-[2-(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl}benzene-1,3-diol
CID 135536508

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).