2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide

C12H20N4O2 — CID 62938265

IUPAC2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-12(2,3)16-7-6-13-10(11(16)18)14-8-9(17)15(4)5/h6-7H,8H2,1-5H3,(H,13,14)
InChIKeyGXGWCMFNPGQEAV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.50
Rot. Bonds3

About 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide

2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide (PubChem CID 62938265) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
PubChem CID62938265
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C12H20N4O2/c1-12(2,3)16-7-6-13-10(11(16)18)14-8-9(17)15(4)5/h6-7H,8H2,1-5H3,(H,13,14)
InChIKeyGXGWCMFNPGQEAV-UHFFFAOYSA-N
XLogP0.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide (CID 62938265) is 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide is CN(C)C(=O)CNc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide?
The InChIKey is GXGWCMFNPGQEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)16-7-6-13-10(11(16)18)14-8-9(17)15(4)5/h6-7H,8H2,1-5H3,(H,13,14).
What are the key properties of 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide?
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide has a molecular weight of 252.32 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 62938265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).