4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol

C20H26N6O2 — CID 136690058

IUPAC4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N\Nc2cc(N3CCCC3)nc(N3CCCC3)n2)ccc1O
InChIInChI=1S/C20H26N6O2/c1-28-17-12-15(6-7-16(17)27)14-21-24-18-13-19(25-8-2-3-9-25)23-20(22-18)26-10-4-5-11-26/h6-7,12-14,27H,2-5,8-11H2,1H3,(H,22,23,24)/b21-14-
InChIKeyARRVQULVAQZHGG-STZFKDTASA-N
MW382.47 g/mol
LogP2.84
Rot. Bonds6

About 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol

4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 136690058) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID136690058
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N\Nc2cc(N3CCCC3)nc(N3CCCC3)n2)ccc1O
InChIInChI=1S/C20H26N6O2/c1-28-17-12-15(6-7-16(17)27)14-21-24-18-13-19(25-8-2-3-9-25)23-20(22-18)26-10-4-5-11-26/h6-7,12-14,27H,2-5,8-11H2,1H3,(H,22,23,24)/b21-14-
InChIKeyARRVQULVAQZHGG-STZFKDTASA-N
XLogP2.84
TPSA86.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(E)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135641493
3-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 5340802
2-methoxy-4-[(Z)-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 156588206
[4-[[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate
CID 3869055
2-[[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2849890
N-[(3-methylphenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 4679735
4-[(E)-[[2,6-di(piperidin-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 135504388
N-[[4-(diethylamino)phenyl]methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 3522387
2-methoxy-4-[(E)-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]phenol
CID 135479775
4-[(E)-[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 135501770
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 4103485
N-[(E)-benzylideneamino]-2-morpholin-4-yl-6-piperidin-1-ylpyrimidin-4-amine
CID 172962795

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol (CID 136690058) is 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(/C=N\Nc2cc(N3CCCC3)nc(N3CCCC3)n2)ccc1O.
What is the InChIKey of 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is ARRVQULVAQZHGG-STZFKDTASA-N. The full InChI is InChI=1S/C20H26N6O2/c1-28-17-12-15(6-7-16(17)27)14-21-24-18-13-19(25-8-2-3-9-25)23-20(22-18)26-10-4-5-11-26/h6-7,12-14,27H,2-5,8-11H2,1H3,(H,22,23,24)/b21-14-.
What are the key properties of 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 382.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 136690058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).