3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline

C13H17N5O — CID 80920463

IUPAC3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
SMILESCc1cnc(NN)nc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C13H17N5O/c1-9-8-15-13(17-14)16-12(9)19-11-6-4-5-10(7-11)18(2)3/h4-8H,14H2,1-3H3,(H,15,16,17)
InChIKeyMOYVNBRYJCELSU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.93
Rot. Bonds4

About 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline

3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline (PubChem CID 80920463) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
PubChem CID80920463
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
SMILESCc1cnc(NN)nc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C13H17N5O/c1-9-8-15-13(17-14)16-12(9)19-11-6-4-5-10(7-11)18(2)3/h4-8H,14H2,1-3H3,(H,15,16,17)
InChIKeyMOYVNBRYJCELSU-UHFFFAOYSA-N
XLogP1.93
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[3-(dimethylamino)phenoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 80879562
[4-(3-bromo-4-fluorophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 83237844
[4-(2,6-dimethoxyphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80918360
[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
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
[6-[3-(dimethylamino)phenoxy]-5-methyl-3-pyridinyl]methanol
CID 80628307
6-[3-(dimethylamino)phenoxy]-5-methylpyridine-3-carboxylic acid
CID 80632781
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80860603
N,5-dimethyl-4-(3-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80864328
3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80913312

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The IUPAC name of 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline (CID 80920463) is 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline.
What is the SMILES notation for 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The canonical SMILES for 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline is Cc1cnc(NN)nc1Oc1cccc(N(C)C)c1.
What is the InChIKey of 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The InChIKey is MOYVNBRYJCELSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-9-8-15-13(17-14)16-12(9)19-11-6-4-5-10(7-11)18(2)3/h4-8H,14H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline has a molecular weight of 259.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline is sourced from PubChem (CID 80920463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).