2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

C16H16N6O2 — CID 3099366

IUPAC2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2cc(-n3cc(C)cn3)ncn2)c1O
InChIInChI=1S/C16H16N6O2/c1-11-7-20-22(9-11)15-6-14(17-10-18-15)21-19-8-12-4-3-5-13(24-2)16(12)23/h3-10,23H,1-2H3,(H,17,18,21)
InChIKeyZRYDRXMYZMXNSQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.13
Rot. Bonds5

About 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 3099366) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID3099366
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCOc1cccc(C=NNc2cc(-n3cc(C)cn3)ncn2)c1O
InChIInChI=1S/C16H16N6O2/c1-11-7-20-22(9-11)15-6-14(17-10-18-15)21-19-8-12-4-3-5-13(24-2)16(12)23/h3-10,23H,1-2H3,(H,17,18,21)
InChIKeyZRYDRXMYZMXNSQ-UHFFFAOYSA-N
XLogP2.13
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136831560
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064
N-[(E)-(3-fluorophenyl)methylideneamino]-6-(4-methylpyrazol-1-yl)pyrimidin-4-amine
CID 5332841
2-methoxy-6-[[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 3091862
2-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]-6-methoxyphenol
CID 3785592
2-methoxy-6-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
CID 136853943
2-methoxy-6-[(E)-[(7-methylthieno[3,2-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135613728
2-methoxy-6-[(E)-[(3-methylquinoxalin-2-yl)hydrazinylidene]methyl]phenol
CID 135411529
5,7-dichloro-2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]quinolin-8-ol
CID 135606477
2-methoxy-6-[(E)-[(1-methylpyridin-1-ium-4-yl)hydrazinylidene]methyl]phenol
CID 137279180
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-4,6-dimethyl-3a,6a-dihydro-1H-imidazo[4,5-d]imidazol-5-one
CID 164889605

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 3099366) is 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is COc1cccc(C=NNc2cc(-n3cc(C)cn3)ncn2)c1O.
What is the InChIKey of 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is ZRYDRXMYZMXNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-11-7-20-22(9-11)15-6-14(17-10-18-15)21-19-8-12-4-3-5-13(24-2)16(12)23/h3-10,23H,1-2H3,(H,17,18,21).
What are the key properties of 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 324.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 3099366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).