3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile

C13H22N6 — CID 80964711

IUPAC3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N6/c1-9(7-14)8-19(5)11-6-10(18-15)16-12(17-11)13(2,3)4/h6,9H,8,15H2,1-5H3,(H,16,17,18)
InChIKeyVBNFABDXCWTHFC-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.66
Rot. Bonds4

About 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile

3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile (PubChem CID 80964711) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
PubChem CID80964711
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H22N6/c1-9(7-14)8-19(5)11-6-10(18-15)16-12(17-11)13(2,3)4/h6,9H,8,15H2,1-5H3,(H,16,17,18)
InChIKeyVBNFABDXCWTHFC-UHFFFAOYSA-N
XLogP1.66
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.66
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'}

Analyze 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-6-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 80968252
2-methyl-3-[methyl-[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80811197
3-[[6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80811502
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 114564590
2-methyl-3-[methyl-[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80809902
2-methyl-3-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]propanenitrile
CID 80810451
2-tert-butyl-N-(furan-3-ylmethyl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80965194
3-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962023
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80963917
3-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80962128
1-[(2-amino-6-hydrazinylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80908741
2-tert-butyl-6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80963761

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile (CID 80964711) is 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)c1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile?
The InChIKey is VBNFABDXCWTHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-9(7-14)8-19(5)11-6-10(18-15)16-12(17-11)13(2,3)4/h6,9H,8,15H2,1-5H3,(H,16,17,18).
What are the key properties of 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile?
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile has a molecular weight of 262.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 80964711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).