2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide

C12H21N5O — CID 62673044

IUPAC2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nccnc1CN
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)11(18)9-16(3)12-10(8-13)14-6-7-15-12/h6-7H,4-5,8-9,13H2,1-3H3
InChIKeyMQEUUCUJEWKLEX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.24
Rot. Bonds6

About 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide

2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide (PubChem CID 62673044) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
PubChem CID62673044
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nccnc1CN
InChIInChI=1S/C12H21N5O/c1-4-17(5-2)11(18)9-16(3)12-10(8-13)14-6-7-15-12/h6-7H,4-5,8-9,13H2,1-3H3
InChIKeyMQEUUCUJEWKLEX-UHFFFAOYSA-N
XLogP0.24
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(aminomethyl)pyrazin-2-yl]-ethylamino]acetamide
CID 103101246
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
CID 115978158
2-[[3-(aminomethyl)pyrazin-2-yl]-propylamino]-N,N-dimethylacetamide
CID 62673047
2-[[2-(aminomethyl)-3-pyridinyl]methyl-methylamino]-N,N-diethylacetamide
CID 62893303
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyrazin-2-amine
CID 62671805
2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
CID 71863717
2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 79531880
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
2-[(6-amino-5-nitropyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 80808538
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide
CID 107541774
3-(aminomethyl)-N-butan-2-yl-N-ethylpyrazin-2-amine
CID 62671629

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide (CID 62673044) is 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1nccnc1CN.
What is the InChIKey of 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide?
The InChIKey is MQEUUCUJEWKLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-4-17(5-2)11(18)9-16(3)12-10(8-13)14-6-7-15-12/h6-7H,4-5,8-9,13H2,1-3H3.
What are the key properties of 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide?
2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 62673044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).