N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide

C12H19ClN4O — CID 113293280

IUPACN-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide
SMILESCc1nc(Cl)c(NCC(=O)NC(C)(C)C)nc1C
InChIInChI=1S/C12H19ClN4O/c1-7-8(2)16-11(10(13)15-7)14-6-9(18)17-12(3,4)5/h6H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyRYIUXRVNLZBUKX-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.07
Rot. Bonds3

About N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide

N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide (PubChem CID 113293280) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide
PubChem CID113293280
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC NameN-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide
SMILESCc1nc(Cl)c(NCC(=O)NC(C)(C)C)nc1C
InChIInChI=1S/C12H19ClN4O/c1-7-8(2)16-11(10(13)15-7)14-6-9(18)17-12(3,4)5/h6H2,1-5H3,(H,14,16)(H,17,18)
InChIKeyRYIUXRVNLZBUKX-UHFFFAOYSA-N
XLogP2.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide (CID 113293280) is N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide is Cc1nc(Cl)c(NCC(=O)NC(C)(C)C)nc1C.
What is the InChIKey of N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide?
The InChIKey is RYIUXRVNLZBUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7-8(2)16-11(10(13)15-7)14-6-9(18)17-12(3,4)5/h6H2,1-5H3,(H,14,16)(H,17,18).
What are the key properties of N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide?
N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide has a molecular weight of 270.76 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-chloro-5,6-dimethylpyrazin-2-yl)amino]acetamide is sourced from PubChem (CID 113293280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).