2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide

C13H24N6O — CID 80902095

IUPAC2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H24N6O/c1-4-5-6-19(7-10(14)20)13-11(9(2)3)12(18-15)16-8-17-13/h8-9H,4-7,15H2,1-3H3,(H2,14,20)(H,16,17,18)
InChIKeyCVOVYCIDSWEEPY-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.98
Rot. Bonds8

About 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide

2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide (PubChem CID 80902095) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide.

Molecular Properties

Compound Name2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
PubChem CID80902095
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
SMILESCCCCN(CC(N)=O)c1ncnc(NN)c1C(C)C
InChIInChI=1S/C13H24N6O/c1-4-5-6-19(7-10(14)20)13-11(9(2)3)12(18-15)16-8-17-13/h8-9H,4-7,15H2,1-3H3,(H2,14,20)(H,16,17,18)
InChIKeyCVOVYCIDSWEEPY-UHFFFAOYSA-N
XLogP0.98
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.98
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-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 103104506
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80902394
N-ethyl-2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80905620
2-[cyclopentyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80900043
2-[ethyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 80899078
2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
CID 80821267
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80898611
4-N-butyl-4-N-ethyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80753718
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
CID 80821348
N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80909764
N'-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 80901295

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide?
The IUPAC name of 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide (CID 80902095) is 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide.
What is the SMILES notation for 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide?
The canonical SMILES for 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide is CCCCN(CC(N)=O)c1ncnc(NN)c1C(C)C.
What is the InChIKey of 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide?
The InChIKey is CVOVYCIDSWEEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-4-5-6-19(7-10(14)20)13-11(9(2)3)12(18-15)16-8-17-13/h8-9H,4-7,15H2,1-3H3,(H2,14,20)(H,16,17,18).
What are the key properties of 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide?
2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide has a molecular weight of 280.38 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide is sourced from PubChem (CID 80902095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).