2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide

C13H24N6O — CID 80963917

IUPAC2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H24N6O/c1-8(2)19(7-9(14)20)11-6-10(18-15)16-12(17-11)13(3,4)5/h6,8H,7,15H2,1-5H3,(H2,14,20)(H,16,17,18)
InChIKeyDCRYLBHEVYMOHX-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.76
Rot. Bonds5

About 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide

2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide (PubChem CID 80963917) 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)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
PubChem CID80963917
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1cc(NN)nc(C(C)(C)C)n1
InChIInChI=1S/C13H24N6O/c1-8(2)19(7-9(14)20)11-6-10(18-15)16-12(17-11)13(3,4)5/h6,8H,7,15H2,1-5H3,(H2,14,20)(H,16,17,18)
InChIKeyDCRYLBHEVYMOHX-UHFFFAOYSA-N
XLogP0.76
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.76
H-Bond Donors ≤ 53
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-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80806397
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]ethanol
CID 80961185
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098870
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
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
CID 80968241
N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775326
3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropanenitrile
CID 80964711
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 80964023
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968898
(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
2-tert-butyl-6-N-ethyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 82942891

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide (CID 80963917) is 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)c1cc(NN)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
The InChIKey is DCRYLBHEVYMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-8(2)19(7-9(14)20)11-6-10(18-15)16-12(17-11)13(3,4)5/h6,8H,7,15H2,1-5H3,(H2,14,20)(H,16,17,18).
What are the key properties of 2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide?
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-propan-2-ylamino]acetamide has a molecular weight of 280.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 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)-propan-2-ylamino]acetamide is sourced from PubChem (CID 80963917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).