3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide

C12H22N6O — CID 106918806

IUPAC3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(C)nc(NN)c1C
InChIInChI=1S/C12H22N6O/c1-7(12(19)14-4)6-18(5)11-8(2)10(17-13)15-9(3)16-11/h7H,6,13H2,1-5H3,(H,14,19)(H,15,16,17)
InChIKeyFQXOMBYOGYILKX-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.20
Rot. Bonds5

About 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide

3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918806) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106918806
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(C)nc(NN)c1C
InChIInChI=1S/C12H22N6O/c1-7(12(19)14-4)6-18(5)11-8(2)10(17-13)15-9(3)16-11/h7H,6,13H2,1-5H3,(H,14,19)(H,15,16,17)
InChIKeyFQXOMBYOGYILKX-UHFFFAOYSA-N
XLogP0.20
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.20
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

3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918785
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918601
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918798
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]ethanol
CID 80944403
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106918799
3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917523
5-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207622
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917517
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 106918505
2-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80779123
1-[(2-tert-butyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 81006399
N,2-dimethyl-3-[(2,5,6-trimethylpyrimidin-4-yl)amino]propanamide
CID 72913259

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 106918806) is 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nc(C)nc(NN)c1C.
What is the InChIKey of 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is FQXOMBYOGYILKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-7(12(19)14-4)6-18(5)11-8(2)10(17-13)15-9(3)16-11/h7H,6,13H2,1-5H3,(H,14,19)(H,15,16,17).
What are the key properties of 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 266.35 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).