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

C15H17ClN4O2 — CID 3099282

IUPAC2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(C=NNc2cc(Cl)nc(C)n2)c(O)c1
InChIInChI=1S/C15H17ClN4O2/c1-3-6-22-12-5-4-11(13(21)7-12)9-17-20-15-8-14(16)18-10(2)19-15/h4-5,7-9,21H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyCNHKNWBNMPNPGU-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.38
Rot. Bonds6

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

2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol (PubChem CID 3099282) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
PubChem CID3099282
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(C=NNc2cc(Cl)nc(C)n2)c(O)c1
InChIInChI=1S/C15H17ClN4O2/c1-3-6-22-12-5-4-11(13(21)7-12)9-17-20-15-8-14(16)18-10(2)19-15/h4-5,7-9,21H,3,6H2,1-2H3,(H,18,19,20)
InChIKeyCNHKNWBNMPNPGU-UHFFFAOYSA-N
XLogP3.38
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.38
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

N-[(4-butoxyphenyl)methylideneamino]-6-chloro-2-methylpyrimidin-4-amine
CID 2841999
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)-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 136714352
2-[[(6-methoxypyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 3099332
2,4-dibromo-6-[4-[(2E)-2-[(2-hydroxy-4-propoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 135536503
2-[[[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene]methyl]-5-propoxyphenol
CID 4662927
2-[(Z)-[(2-benzylsulfanylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol
CID 136817653
2-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 4674688
2-[[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 3099406
1-[(2-hydroxy-4-propoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 4573114
2-[(E)-[(2-chlorophenyl)hydrazinylidene]methyl]-5-ethoxyphenol
CID 135616077

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The IUPAC name of 2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol (CID 3099282) is 2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol is CCCOc1ccc(C=NNc2cc(Cl)nc(C)n2)c(O)c1.
What is the InChIKey of 2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
The InChIKey is CNHKNWBNMPNPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-3-6-22-12-5-4-11(13(21)7-12)9-17-20-15-8-14(16)18-10(2)19-15/h4-5,7-9,21H,3,6H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol?
2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol has a molecular weight of 320.78 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloro-2-methylpyrimidin-4-yl)hydrazinylidene]methyl]-5-propoxyphenol is sourced from PubChem (CID 3099282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).