2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

C13H24N6O — CID 80963892

IUPAC2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H24N6O/c1-8(2)16-11(20)7-15-9-6-10(19-14)18-12(17-9)13(3,4)5/h6,8H,7,14H2,1-5H3,(H,16,20)(H2,15,17,18,19)
InChIKeyLHDBKJYLMAQIFB-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.00
Rot. Bonds5

About 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide

2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (PubChem CID 80963892) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
PubChem CID80963892
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H24N6O/c1-8(2)16-11(20)7-15-9-6-10(19-14)18-12(17-9)13(3,4)5/h6,8H,7,14H2,1-5H3,(H,16,20)(H2,15,17,18,19)
InChIKeyLHDBKJYLMAQIFB-UHFFFAOYSA-N
XLogP1.00
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.00
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

2-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80995102
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179473
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
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968898
methyl 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964160
2-[(6-amino-2-methylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80793217
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 80964023
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
N-ethyl-2-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]acetamide
CID 80907084
2-tert-butyl-N-(cyclobutylmethyl)-6-hydrazinylpyrimidin-4-amine
CID 80964314

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide (CID 80963892) is 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is LHDBKJYLMAQIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-8(2)16-11(20)7-15-9-6-10(19-14)18-12(17-9)13(3,4)5/h6,8H,7,14H2,1-5H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide?
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 280.38 g/mol, XLogP of 1.00, 5 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]-N-propan-2-ylacetamide is sourced from PubChem (CID 80963892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).