3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile

C13H20N6 — CID 80964091

IUPAC3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H20N6/c1-3-19(8-9(2)7-14)12-6-11(18-15)16-13(17-12)10-4-5-10/h6,9-10H,3-5,8,15H2,1-2H3,(H,16,17,18)
InChIKeyHCWORHDOGUIAQT-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.63
Rot. Bonds6

About 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile

3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile (PubChem CID 80964091) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
PubChem CID80964091
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC Name3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C13H20N6/c1-3-19(8-9(2)7-14)12-6-11(18-15)16-13(17-12)10-4-5-10/h6,9-10H,3-5,8,15H2,1-2H3,(H,16,17,18)
InChIKeyHCWORHDOGUIAQT-UHFFFAOYSA-N
XLogP1.63
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.63
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

2-cyclopropyl-N,N-diethyl-6-hydrazinylpyrimidin-4-amine
CID 80968922
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]propanenitrile
CID 80964347
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962128
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80969713
2-cyclopropyl-6-hydrazinyl-N-methyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80963764
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80967980
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80964380
2-cyclopropyl-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80968796
2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80959981
2-cyclopropyl-4-N,6-N-diethyl-4-N-(2-ethylbutyl)pyrimidine-4,6-diamine
CID 80961233
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80965192

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile (CID 80964091) is 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1cc(NN)nc(C2CC2)n1.
What is the InChIKey of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is HCWORHDOGUIAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-3-19(8-9(2)7-14)12-6-11(18-15)16-13(17-12)10-4-5-10/h6,9-10H,3-5,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile?
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 260.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 80964091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).