3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline

C15H21N5O — CID 80913312

IUPAC3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline
SMILESCC(C)c1c(NN)ncnc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C15H21N5O/c1-10(2)13-14(19-16)17-9-18-15(13)21-12-7-5-6-11(8-12)20(3)4/h5-10H,16H2,1-4H3,(H,17,18,19)
InChIKeyXTUHFVSMSIWKED-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.74
Rot. Bonds5

About 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline

3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline (PubChem CID 80913312) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline
PubChem CID80913312
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline
SMILESCC(C)c1c(NN)ncnc1Oc1cccc(N(C)C)c1
InChIInChI=1S/C15H21N5O/c1-10(2)13-14(19-16)17-9-18-15(13)21-12-7-5-6-11(8-12)20(3)4/h5-10H,16H2,1-4H3,(H,17,18,19)
InChIKeyXTUHFVSMSIWKED-UHFFFAOYSA-N
XLogP2.74
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.74
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

[6-(3-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80916000
[6-(3-bromo-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 83238473
[6-[(2-methyl-3-pyridinyl)oxy]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923375
[6-(3-chloro-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116691466
[6-(3-bromo-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81326582
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920463
6-(3-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80869449
[6-(2-methoxy-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80909009
[5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidin-4-yl]hydrazine
CID 80910696
[6-(2-chloro-5-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 114264432
[6-(2-chloro-4-fluorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80917339
[6-(5-bromo-2-chlorophenoxy)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80924618

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The IUPAC name of 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline (CID 80913312) is 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline.
What is the SMILES notation for 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The canonical SMILES for 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline is CC(C)c1c(NN)ncnc1Oc1cccc(N(C)C)c1.
What is the InChIKey of 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
The InChIKey is XTUHFVSMSIWKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10(2)13-14(19-16)17-9-18-15(13)21-12-7-5-6-11(8-12)20(3)4/h5-10H,16H2,1-4H3,(H,17,18,19).
What are the key properties of 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline?
3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline has a molecular weight of 287.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)oxy-N,N-dimethylaniline is sourced from PubChem (CID 80913312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).