3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide

C12H22N6O — CID 106918799

IUPAC3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCCc1c(NN)ncnc1N(C)CC(C)C(=O)NC
InChIInChI=1S/C12H22N6O/c1-5-9-10(17-13)15-7-16-11(9)18(4)6-8(2)12(19)14-3/h7-8H,5-6,13H2,1-4H3,(H,14,19)(H,15,16,17)
InChIKeyACACKMWAFJBPOY-UHFFFAOYSA-N
MW266.35 g/mol
LogP0.14
Rot. Bonds6

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

3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106918799) has the molecular formula C12H22N6O and a molecular weight of 266.35 g/mol. Its IUPAC name is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106918799
Molecular FormulaC12H22N6O
Molecular Weight266.35 g/mol
Exact Mass266.19
IUPAC Name3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCCc1c(NN)ncnc1N(C)CC(C)C(=O)NC
InChIInChI=1S/C12H22N6O/c1-5-9-10(17-13)15-7-16-11(9)18(4)6-8(2)12(19)14-3/h7-8H,5-6,13H2,1-4H3,(H,14,19)(H,15,16,17)
InChIKeyACACKMWAFJBPOY-UHFFFAOYSA-N
XLogP0.14
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.14
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-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide (CID 106918799) is 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is CCc1c(NN)ncnc1N(C)CC(C)C(=O)NC.
What is the InChIKey of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is ACACKMWAFJBPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O/c1-5-9-10(17-13)15-7-16-11(9)18(4)6-8(2)12(19)14-3/h7-8H,5-6,13H2,1-4H3,(H,14,19)(H,15,16,17).
What are the key properties of 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 266.35 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106918799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).