2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide

C9H16N6O — CID 80896435

IUPAC2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccnc(NN)n1
InChIInChI=1S/C9H16N6O/c1-3-15(6-8(16)11-2)7-4-5-12-9(13-7)14-10/h4-5H,3,6,10H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyBHJAKOYFBHYVBZ-UHFFFAOYSA-N
MW224.27 g/mol
LogP-0.67
Rot. Bonds5

About 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide

2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide (PubChem CID 80896435) has the molecular formula C9H16N6O and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
PubChem CID80896435
Molecular FormulaC9H16N6O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide
SMILESCCN(CC(=O)NC)c1ccnc(NN)n1
InChIInChI=1S/C9H16N6O/c1-3-15(6-8(16)11-2)7-4-5-12-9(13-7)14-10/h4-5H,3,6,10H2,1-2H3,(H,11,16)(H,12,13,14)
InChIKeyBHJAKOYFBHYVBZ-UHFFFAOYSA-N
XLogP-0.67
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 5-0.67
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

N-butyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80918365
2-[[4-(diethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]-ethylamino]-N-methylacetamide
CID 80900599
2-[(2-hydrazinylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901634
N-ethyl-2-[ethyl-[2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80805066
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-4-carboxylic acid
CID 54948629
2-[(2-aminopyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80779602
2-[(2-aminopyrimidin-4-yl)-ethylamino]-N,N-dimethylacetamide
CID 80809739
2-[(5-aminopyrazin-2-yl)-ethylamino]-N-methylacetamide
CID 80652125
2-[(2-amino-6-chloropyrimidin-4-yl)-ethylamino]-N-methylacetamide
CID 79492398
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
4-N-ethyl-2-N-methyl-4-N-propylpyrimidine-2,4-diamine
CID 80775087
1-[(2-hydrazinylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80922992

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide (CID 80896435) is 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide is CCN(CC(=O)NC)c1ccnc(NN)n1.
What is the InChIKey of 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide?
The InChIKey is BHJAKOYFBHYVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O/c1-3-15(6-8(16)11-2)7-4-5-12-9(13-7)14-10/h4-5H,3,6,10H2,1-2H3,(H,11,16)(H,12,13,14).
What are the key properties of 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide?
2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide has a molecular weight of 224.27 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydrazinylpyrimidin-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 80896435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).