[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol

C13H16N4O3 — CID 107745258

IUPAC[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1nc(NN)ncc1C
InChIInChI=1S/C13H16N4O3/c1-8-6-15-13(17-14)16-12(8)20-10-4-3-9(7-18)5-11(10)19-2/h3-6,18H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyOMYPTALLMCZWAW-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.36
Rot. Bonds5

About [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol

[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol (PubChem CID 107745258) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
PubChem CID107745258
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1nc(NN)ncc1C
InChIInChI=1S/C13H16N4O3/c1-8-6-15-13(17-14)16-12(8)20-10-4-3-9(7-18)5-11(10)19-2/h3-6,18H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyOMYPTALLMCZWAW-UHFFFAOYSA-N
XLogP1.36
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917253
[4-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methanol
CID 107745217
[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80918360
[4-[(5-bromo-3-methyl-2-pyridinyl)oxy]-3-methoxyphenyl]methanol
CID 107743821
N-ethyl-4-(2-methoxy-4-methylphenoxy)-5-methylpyrimidin-2-amine
CID 80881136
[4-(5,6-dimethylpyrazin-2-yl)oxy-3-methoxyphenyl]methanol
CID 107744072
[4-[3-(aminomethyl)pyrazin-2-yl]oxy-3-methoxyphenyl]methanol
CID 107742464
[4-(2-bromophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80913487
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745155
[4-[(6-hydrazinyl-2-pyridinyl)methoxy]-3-methoxyphenyl]methanol
CID 107744846

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol?
The IUPAC name of [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol (CID 107745258) is [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol is COc1cc(CO)ccc1Oc1nc(NN)ncc1C.
What is the InChIKey of [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol?
The InChIKey is OMYPTALLMCZWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-6-15-13(17-14)16-12(8)20-10-4-3-9(7-18)5-11(10)19-2/h3-6,18H,7,14H2,1-2H3,(H,15,16,17).
What are the key properties of [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol?
[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol has a molecular weight of 276.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol is sourced from PubChem (CID 107745258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).