2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol

C15H18N4O3 — CID 3099332

IUPAC2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(C=NNc2cc(OC)ncn2)c(O)c1
InChIInChI=1S/C15H18N4O3/c1-3-6-22-12-5-4-11(13(20)7-12)9-18-19-14-8-15(21-2)17-10-16-14/h4-5,7-10,20H,3,6H2,1-2H3,(H,16,17,19)
InChIKeyIYQKGIDIGABMOL-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.43
Rot. Bonds7

About 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol

2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol (PubChem CID 3099332) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
PubChem CID3099332
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(C=NNc2cc(OC)ncn2)c(O)c1
InChIInChI=1S/C15H18N4O3/c1-3-6-22-12-5-4-11(13(20)7-12)9-18-19-14-8-15(21-2)17-10-16-14/h4-5,7-10,20H,3,6H2,1-2H3,(H,16,17,19)
InChIKeyIYQKGIDIGABMOL-UHFFFAOYSA-N
XLogP2.43
TPSA88.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 3099282
2-[(E)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135504514
2-[(E)-[[2-(4-bromophenyl)-6-methylpyrimidin-4-yl]hydrazinylidene]methyl]-5-propoxyphenol
CID 135495747
2-[(Z)-[(2-benzylsulfanylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 136817653
2,4-dibromo-6-[4-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536503
2-[(Z)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 136714352
1-[(E)-(2-hydroxy-4-propoxyphenyl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135717529
1-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 4573114
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol
CID 4662927
5-ethoxy-2-[(E)-[(3-methylphenyl)hydrazinylidene]methyl]phenol
CID 135676045
2-[(2-hydroxy-4-propoxyphenyl)methylideneamino]guanidine
CID 2387794
2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 3099406

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The IUPAC name of 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol (CID 3099332) is 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol is CCCOc1ccc(C=NNc2cc(OC)ncn2)c(O)c1.
What is the InChIKey of 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The InChIKey is IYQKGIDIGABMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-6-22-12-5-4-11(13(20)7-12)9-18-19-14-8-15(21-2)17-10-16-14/h4-5,7-10,20H,3,6H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol has a molecular weight of 302.33 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol is sourced from PubChem (CID 3099332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).