2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide

C12H22N6O — CID 80964023

IUPAC2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1cc(NN)nc(C(C)(C)C)n1)C(N)=O
InChIInChI=1S/C12H22N6O/c1-11(2,3)10-15-7(6-8(16-10)18-14)17-12(4,5)9(13)19/h6H,14H2,1-5H3,(H2,13,19)(H2,15,16,17,18)
InChIKeyWSELWYGUHJJENO-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.74
Rot. Bonds4

About 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide

2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide (PubChem CID 80964023) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide
PubChem CID80964023
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide
SMILESCC(C)(Nc1cc(NN)nc(C(C)(C)C)n1)C(N)=O
InChIInChI=1S/C12H22N6O/c1-11(2,3)10-15-7(6-8(16-10)18-14)17-12(4,5)9(13)19/h6H,14H2,1-5H3,(H2,13,19)(H2,15,16,17,18)
InChIKeyWSELWYGUHJJENO-UHFFFAOYSA-N
XLogP0.74
TPSA118.95 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.74
H-Bond Donors ≤ 54
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

3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 80903386
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179473
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80963892
methyl 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964160
2-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropanamide
CID 80934886
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80963917
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
(2-tert-butyl-6-methylsulfanylpyrimidin-4-yl)hydrazine
CID 80979490
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
CID 80968241
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968489
1-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106294502

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide?
The IUPAC name of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide (CID 80964023) is 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide.
What is the SMILES notation for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide?
The canonical SMILES for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide is CC(C)(Nc1cc(NN)nc(C(C)(C)C)n1)C(N)=O.
What is the InChIKey of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide?
The InChIKey is WSELWYGUHJJENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-11(2,3)10-15-7(6-8(16-10)18-14)17-12(4,5)9(13)19/h6H,14H2,1-5H3,(H2,13,19)(H2,15,16,17,18).
What are the key properties of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide?
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide has a molecular weight of 266.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide is sourced from PubChem (CID 80964023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).