N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine

C13H18N4S — CID 107379721

IUPACN-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
SMILESCCN(Cc1cccs1)c1cnc(CNC)cn1
InChIInChI=1S/C13H18N4S/c1-3-17(10-12-5-4-6-18-12)13-9-15-11(7-14-2)8-16-13/h4-6,8-9,14H,3,7,10H2,1-2H3
InChIKeyNWOKSFHZIQKVGA-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.28
Rot. Bonds6

About N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine

N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine (PubChem CID 107379721) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
PubChem CID107379721
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC NameN-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
SMILESCCN(Cc1cccs1)c1cnc(CNC)cn1
InChIInChI=1S/C13H18N4S/c1-3-17(10-12-5-4-6-18-12)13-9-15-11(7-14-2)8-16-13/h4-6,8-9,14H,3,7,10H2,1-2H3
InChIKeyNWOKSFHZIQKVGA-UHFFFAOYSA-N
XLogP2.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 105073508
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361
2-N,4-N-diethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80798994
N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133468172
2-N,6-N-diethyl-6-N-(thiophen-2-ylmethyl)pyridine-2,6-diamine
CID 80798911
5-[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 122054307
6-(methylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 66451437
4-(chloromethyl)-N-ethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 61438001
4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798913
5-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 103745799
N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78818781
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 62287912

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine?
The IUPAC name of N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine (CID 107379721) is N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine is CCN(Cc1cccs1)c1cnc(CNC)cn1.
What is the InChIKey of N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine?
The InChIKey is NWOKSFHZIQKVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-3-17(10-12-5-4-6-18-12)13-9-15-11(7-14-2)8-16-13/h4-6,8-9,14H,3,7,10H2,1-2H3.
What are the key properties of N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine?
N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine has a molecular weight of 262.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 107379721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).