3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile

C12H20N6O — CID 80914663

IUPAC3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCc1c(NN)ncnc1N(CCC#N)CCOC
InChIInChI=1S/C12H20N6O/c1-3-10-11(17-14)15-9-16-12(10)18(6-4-5-13)7-8-19-2/h9H,3-4,6-8,14H2,1-2H3,(H,15,16,17)
InChIKeyKCDFNJRMYKNRCY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.69
Rot. Bonds8

About 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile

3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 80914663) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID80914663
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCCc1c(NN)ncnc1N(CCC#N)CCOC
InChIInChI=1S/C12H20N6O/c1-3-10-11(17-14)15-9-16-12(10)18(6-4-5-13)7-8-19-2/h9H,3-4,6-8,14H2,1-2H3,(H,15,16,17)
InChIKeyKCDFNJRMYKNRCY-UHFFFAOYSA-N
XLogP0.69
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.69
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

5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
3-[2-methoxyethyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80829439
4-N,6-N,5-triethyl-4-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 80808569
3-[[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141479
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-(2-methylpropyl)amino]propanenitrile
CID 80900553
3-[(5-amino-6-chloropyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63285179
3-[(6-amino-5-propan-2-ylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829909
3-[(6-hydrazinyl-5-propylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80916482
3-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(2-methoxyethyl)amino]propanenitrile
CID 63286504
3-[ethyl-(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]propanenitrile
CID 80905442
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
5-ethyl-6-hydrazinyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 80901339

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile (CID 80914663) is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile is CCc1c(NN)ncnc1N(CCC#N)CCOC.
What is the InChIKey of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is KCDFNJRMYKNRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-3-10-11(17-14)15-9-16-12(10)18(6-4-5-13)7-8-19-2/h9H,3-4,6-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile?
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 264.33 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 80914663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).