2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide

C11H19N5O — CID 103056034

IUPAC2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1cnc(N)cn1
InChIInChI=1S/C11H19N5O/c1-4-16(8-11(17)15(2)3)7-9-5-14-10(12)6-13-9/h5-6H,4,7-8H2,1-3H3,(H2,12,14)
InChIKeyWPRQKQDWVJXKGA-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.03
Rot. Bonds5

About 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide

2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 103056034) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
PubChem CID103056034
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1cnc(N)cn1
InChIInChI=1S/C11H19N5O/c1-4-16(8-11(17)15(2)3)7-9-5-14-10(12)6-13-9/h5-6H,4,7-8H2,1-3H3,(H2,12,14)
InChIKeyWPRQKQDWVJXKGA-UHFFFAOYSA-N
XLogP-0.03
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide (CID 103056034) is 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)Cc1cnc(N)cn1.
What is the InChIKey of 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is WPRQKQDWVJXKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-16(8-11(17)15(2)3)7-9-5-14-10(12)6-13-9/h5-6H,4,7-8H2,1-3H3,(H2,12,14).
What are the key properties of 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide?
2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 237.31 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 103056034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).