1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol

C55H58N8O7 — CID 172961038

IUPAC1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol
SMILESCC(C)O.CN(N)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.COc1cc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(OC)c1O.COc1cc(C=O)cc(C)c1O
InChIInChI=1S/C26H24N4O3.C17H16N4.C9H10O3.C3H8O/c1-30(27-17-18-14-23(32-2)25(31)24(15-18)33-3)26-28-21(19-10-6-4-7-11-19)16-22(29-26)20-12-8-5-9-13-20;1-21(18)17-19-15(13-8-4-2-5-9-13)12-16(20-17)14-10-6-3-7-11-14;1-6-3-7(5-10)4-8(12-2)9(6)11;1-3(2)4/h4-17,31H,1-3H3;2-12H,18H2,1H3;3-5,11H,1-2H3;3-4H,1-2H3/b27-17-;;;
InChIKeyAKCHUPPNNALMRK-WDZLRFQASA-N
MW943.12 g/mol
LogP10.03
Rot. Bonds12

About 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol

1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol (PubChem CID 172961038) has the molecular formula C55H58N8O7 and a molecular weight of 943.12 g/mol. Its IUPAC name is 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol.

Molecular Properties

Compound Name1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol
PubChem CID172961038
Molecular FormulaC55H58N8O7
Molecular Weight943.12 g/mol
Exact Mass942.44
IUPAC Name1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol
SMILESCC(C)O.CN(N)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.COc1cc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(OC)c1O.COc1cc(C=O)cc(C)c1O
InChIInChI=1S/C26H24N4O3.C17H16N4.C9H10O3.C3H8O/c1-30(27-17-18-14-23(32-2)25(31)24(15-18)33-3)26-28-21(19-10-6-4-7-11-19)16-22(29-26)20-12-8-5-9-13-20;1-21(18)17-19-15(13-8-4-2-5-9-13)12-16(20-17)14-10-6-3-7-11-14;1-6-3-7(5-10)4-8(12-2)9(6)11;1-3(2)4/h4-17,31H,1-3H3;2-12H,18H2,1H3;3-5,11H,1-2H3;3-4H,1-2H3/b27-17-;;;
InChIKeyAKCHUPPNNALMRK-WDZLRFQASA-N
XLogP10.03
TPSA201.87 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500943.12
LogP ≤ 510.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol with MolForge

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Related Compounds

4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 137251415
N-[(3,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837773
4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]benzene-1,2-diol;ethene
CID 145418854
2,6-dimethoxy-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]phenol
CID 135779670
N-[(2,4-dimethoxyphenyl)methylideneamino]-N-methyl-4,6-diphenylpyrimidin-2-amine
CID 2837790
1-methyl-1-[4-(4-methylphenyl)-6-phenylpyrimidin-2-yl]hydrazine
CID 780059
4-bromo-2-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]phenol
CID 135421596
2-methoxy-6-phenylpyridine-4-carbaldehyde
CID 131526477
ethane;N-[(E)-(4-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 142259070
4-[(dimethylhydrazinylidene)methyl]-2,6-dimethoxyphenol
CID 2344023
4-[(2-amino-4-phenylimidazol-1-yl)iminomethyl]-2-methoxy-6-nitrophenol
CID 135618794
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol?
The IUPAC name of 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol (CID 172961038) is 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol.
What is the SMILES notation for 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol?
The canonical SMILES for 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol is CC(C)O.CN(N)c1nc(-c2ccccc2)cc(-c2ccccc2)n1.COc1cc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(OC)c1O.COc1cc(C=O)cc(C)c1O.
What is the InChIKey of 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol?
The InChIKey is AKCHUPPNNALMRK-WDZLRFQASA-N. The full InChI is InChI=1S/C26H24N4O3.C17H16N4.C9H10O3.C3H8O/c1-30(27-17-18-14-23(32-2)25(31)24(15-18)33-3)26-28-21(19-10-6-4-7-11-19)16-22(29-26)20-12-8-5-9-13-20;1-21(18)17-19-15(13-8-4-2-5-9-13)12-16(20-17)14-10-6-3-7-11-14;1-6-3-7(5-10)4-8(12-2)9(6)11;1-3(2)4/h4-17,31H,1-3H3;2-12H,18H2,1H3;3-5,11H,1-2H3;3-4H,1-2H3/b27-17-;;;.
What are the key properties of 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol?
1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol has a molecular weight of 943.12 g/mol, XLogP of 10.03, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenylpyrimidin-2-yl)-1-methylhydrazine;4-[(Z)-[(4,6-diphenylpyrimidin-2-yl)-methylhydrazinylidene]methyl]-2,6-dimethoxyphenol;4-hydroxy-3-methoxy-5-methylbenzaldehyde;propan-2-ol is sourced from PubChem (CID 172961038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).