[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine

C13H16N4O3 — CID 80918360

IUPAC[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCOc1cccc(OC)c1Oc1nc(NN)ncc1C
InChIInChI=1S/C13H16N4O3/c1-8-7-15-13(17-14)16-12(8)20-11-9(18-2)5-4-6-10(11)19-3/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyDFDGOEROJPFLNB-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.88
Rot. Bonds5

About [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine

[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine (PubChem CID 80918360) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
PubChem CID80918360
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
SMILESCOc1cccc(OC)c1Oc1nc(NN)ncc1C
InChIInChI=1S/C13H16N4O3/c1-8-7-15-13(17-14)16-12(8)20-11-9(18-2)5-4-6-10(11)19-3/h4-7H,14H2,1-3H3,(H,15,16,17)
InChIKeyDFDGOEROJPFLNB-UHFFFAOYSA-N
XLogP1.88
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.88
H-Bond Donors ≤ 52
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-(2-bromophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80913487
[5-methyl-4-[(2-methyl-3-pyridinyl)oxy]pyrimidin-2-yl]hydrazine
CID 80923549
[4-(2-ethylphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917094
[4-(2-tert-butylphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917311
[4-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745258
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920463
[4-(2,4-dichlorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80915153
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-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80920125
[5-bromo-4-(3-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920594

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine (CID 80918360) is [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine is COc1cccc(OC)c1Oc1nc(NN)ncc1C.
What is the InChIKey of [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine?
The InChIKey is DFDGOEROJPFLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-8-7-15-13(17-14)16-12(8)20-11-9(18-2)5-4-6-10(11)19-3/h4-7H,14H2,1-3H3,(H,15,16,17).
What are the key properties of [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine?
[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine has a molecular weight of 276.30 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80918360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).