3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide

C12H19ClN4O — CID 106917523

IUPAC3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(C)c(C)nc1Cl
InChIInChI=1S/C12H19ClN4O/c1-7(12(18)14-4)6-17(5)11-10(13)15-8(2)9(3)16-11/h7H,6H2,1-5H3,(H,14,18)
InChIKeyGIXRJSWEXVGBJI-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.57
Rot. Bonds4

About 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide

3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106917523) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106917523
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nc(C)c(C)nc1Cl
InChIInChI=1S/C12H19ClN4O/c1-7(12(18)14-4)6-17(5)11-10(13)15-8(2)9(3)16-11/h7H,6H2,1-5H3,(H,14,18)
InChIKeyGIXRJSWEXVGBJI-UHFFFAOYSA-N
XLogP1.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide (CID 106917523) is 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nc(C)c(C)nc1Cl.
What is the InChIKey of 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is GIXRJSWEXVGBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7(12(18)14-4)6-17(5)11-10(13)15-8(2)9(3)16-11/h7H,6H2,1-5H3,(H,14,18).
What are the key properties of 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106917523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).