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

C11H20N6O — CID 106918785

IUPAC3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ncnc(NN)c1C
InChIInChI=1S/C11H20N6O/c1-7(11(18)13-3)5-17(4)10-8(2)9(16-12)14-6-15-10/h6-7H,5,12H2,1-4H3,(H,13,18)(H,14,15,16)
InChIKeyMVSBINWDBZETBN-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.11
Rot. Bonds5

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

3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918785) has the molecular formula C11H20N6O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106918785
Molecular FormulaC11H20N6O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1ncnc(NN)c1C
InChIInChI=1S/C11H20N6O/c1-7(11(18)13-3)5-17(4)10-8(2)9(16-12)14-6-15-10/h6-7H,5,12H2,1-4H3,(H,13,18)(H,14,15,16)
InChIKeyMVSBINWDBZETBN-UHFFFAOYSA-N
XLogP-0.11
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.11
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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Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 106918785) is 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1ncnc(NN)c1C.
What is the InChIKey of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is MVSBINWDBZETBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O/c1-7(11(18)13-3)5-17(4)10-8(2)9(16-12)14-6-15-10/h6-7H,5,12H2,1-4H3,(H,13,18)(H,14,15,16).
What are the key properties of 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 252.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).