3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

C11H20N6O — CID 106280884

IUPAC3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(NN)ncc1C
InChIInChI=1S/C11H20N6O/c1-7-5-14-10(17-12)16-8(7)15-6-11(2,3)9(18)13-4/h5H,6,12H2,1-4H3,(H,13,18)(H2,14,15,16,17)
InChIKeyFZGVUHVFANGLBT-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.25
Rot. Bonds5

About 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide

3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (PubChem CID 106280884) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
PubChem CID106280884
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNc1nc(NN)ncc1C
InChIInChI=1S/C11H20N6O/c1-7-5-14-10(17-12)16-8(7)15-6-11(2,3)9(18)13-4/h5H,6,12H2,1-4H3,(H,13,18)(H2,14,15,16,17)
InChIKeyFZGVUHVFANGLBT-UHFFFAOYSA-N
XLogP0.25
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.25
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

3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280909
3-[(6-hydrazinyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280898
2,2-dimethyl-3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 106280601
5-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]pentanamide
CID 106241936
3-[(5-iodopyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 104844185
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]propan-1-ol
CID 80942779
3-[(5-chloropyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 103823329
3-[(6-hydrazinylpyrazin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106280881
N,2,2-trimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]propanamide
CID 106280704
3-[(5-methoxypyrimidin-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278290
2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 115366501
2-hydrazinyl-N-(2-methoxyethyl)-5-methylpyrimidin-4-amine
CID 80932366

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide (CID 106280884) is 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNc1nc(NN)ncc1C.
What is the InChIKey of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
The InChIKey is FZGVUHVFANGLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-7-5-14-10(17-12)16-8(7)15-6-11(2,3)9(18)13-4/h5H,6,12H2,1-4H3,(H,13,18)(H2,14,15,16,17).
What are the key properties of 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide?
3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide has a molecular weight of 252.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).