1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

C22H18N4O2 — CID 135533004

IUPAC1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESCOc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(-c2ccccc2)n1
InChIInChI=1S/C22H18N4O2/c1-28-21-13-20(24-22(25-21)16-8-3-2-4-9-16)26-23-14-18-17-10-6-5-7-15(17)11-12-19(18)27/h2-14,27H,1H3,(H,24,25,26)/b23-14+
InChIKeySAGIDOKGAHNCBA-OEAKJJBVSA-N
MW370.41 g/mol
LogP4.46
Rot. Bonds5

About 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol

1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (PubChem CID 135533004) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
PubChem CID135533004
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol
SMILESCOc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(-c2ccccc2)n1
InChIInChI=1S/C22H18N4O2/c1-28-21-13-20(24-22(25-21)16-8-3-2-4-9-16)26-23-14-18-17-10-6-5-7-15(17)11-12-19(18)27/h2-14,27H,1H3,(H,24,25,26)/b23-14+
InChIKeySAGIDOKGAHNCBA-OEAKJJBVSA-N
XLogP4.46
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.46
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

1-[[[4-(3,4-dimethoxyphenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 3092892
1-[(Z)-[(4-methyl-6-phenylpyrimidin-2-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 136767772
1-[[(5,6-diphenyl-1,2,4-triazin-3-yl)hydrazinylidene]methyl]naphthalen-2-ol
CID 2848301
methyl N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]carbamate
CID 135588910
N-[1-(3-aminophenyl)ethylideneamino]-6-methoxy-2-phenylpyrimidin-4-amine
CID 3099348
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 1185189
1-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3502154
6-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]-2-phenylpyrimidin-4-amine
CID 2842279
2-[2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135454039
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide
CID 171977564
N'-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 135606654

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol (CID 135533004) is 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is COc1cc(N/N=C/c2c(O)ccc3ccccc23)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
The InChIKey is SAGIDOKGAHNCBA-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-21-13-20(24-22(25-21)16-8-3-2-4-9-16)26-23-14-18-17-10-6-5-7-15(17)11-12-19(18)27/h2-14,27H,1H3,(H,24,25,26)/b23-14+.
What are the key properties of 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol?
1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol has a molecular weight of 370.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[(6-methoxy-2-phenylpyrimidin-4-yl)hydrazinylidene]methyl]naphthalen-2-ol is sourced from PubChem (CID 135533004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).