2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide

C13H24N6O — CID 80947162

IUPAC2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1cc(NN)nc(CCC)n1
InChIInChI=1S/C13H24N6O/c1-3-5-7-19(9-10(14)20)13-8-12(18-15)16-11(17-13)6-4-2/h8H,3-7,9,15H2,1-2H3,(H2,14,20)(H,16,17,18)
InChIKeyWVXWGJHAUHFSLN-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.81
Rot. Bonds9

About 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide

2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide (PubChem CID 80947162) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide
PubChem CID80947162
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1cc(NN)nc(CCC)n1
InChIInChI=1S/C13H24N6O/c1-3-5-7-19(9-10(14)20)13-8-12(18-15)16-11(17-13)6-4-2/h8H,3-7,9,15H2,1-2H3,(H2,14,20)(H,16,17,18)
InChIKeyWVXWGJHAUHFSLN-UHFFFAOYSA-N
XLogP0.81
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.81
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

6-hydrazinyl-N,N,2-tripropylpyrimidin-4-amine
CID 80947753
2-[ethyl-[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 103104455
2-[butyl-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771446
2-[(2-amino-2-oxoethyl)-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]acetamide
CID 80934481
N-cyclopropyl-2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)-methylamino]acetamide
CID 80947351
2-[[2-(ethoxymethyl)-6-(ethylamino)pyrimidin-4-yl]-ethylamino]acetamide
CID 103104342
3-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106280838
N'-ethyl-N'-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-N,N-dimethylpropane-1,3-diamine
CID 102999011
2-[butyl-(2-chloropyrimidin-4-yl)amino]acetamide
CID 62343261
2-[(2-aminopyrimidin-4-yl)-butylamino]acetamide
CID 80821112
2-[butyl-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]acetamide
CID 80972549
N-ethyl-2-[ethyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80941432

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide (CID 80947162) is 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide is CCCCN(CC(N)=O)c1cc(NN)nc(CCC)n1.
What is the InChIKey of 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide?
The InChIKey is WVXWGJHAUHFSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-3-5-7-19(9-10(14)20)13-8-12(18-15)16-11(17-13)6-4-2/h8H,3-7,9,15H2,1-2H3,(H2,14,20)(H,16,17,18).
What are the key properties of 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide?
2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide has a molecular weight of 280.38 g/mol, XLogP of 0.81, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 80947162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).