2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine

C15H20N4S — CID 80798980

IUPAC2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine
SMILESCCCNc1cncc(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H20N4S/c1-2-6-17-14-8-16-9-15(18-14)19(13-3-4-13)10-12-5-7-20-11-12/h5,7-9,11,13H,2-4,6,10H2,1H3,(H,17,18)
InChIKeyDBVGGWBOXLRGKG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.53
Rot. Bonds7

About 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine

2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine (PubChem CID 80798980) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine
PubChem CID80798980
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine
SMILESCCCNc1cncc(N(Cc2ccsc2)C2CC2)n1
InChIInChI=1S/C15H20N4S/c1-2-6-17-14-8-16-9-15(18-14)19(13-3-4-13)10-12-5-7-20-11-12/h5,7-9,11,13H,2-4,6,10H2,1H3,(H,17,18)
InChIKeyDBVGGWBOXLRGKG-UHFFFAOYSA-N
XLogP3.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-cyclopropyl-6-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4,6-triamine
CID 80779786
6-N-propyl-2-N-thiophen-3-ylpyrazine-2,6-diamine
CID 80851429
N-cyclopropyl-5-(propylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62754275
N-cyclopropyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 107379600
2-N-cyclopropyl-4-methyl-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 79173041
6-chloro-N-cyclopropyl-2-propyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80938379
5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606197
2-N-(4,4-dimethylcyclohexyl)-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80854761
N-cyclopropyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80896481
4-N-cyclopropyl-1-N-propyl-4-N-(thiophen-3-ylmethyl)cyclohexane-1,4-diamine
CID 114762977
2-N-methyl-2-N-(3-methylcyclohexyl)-6-N-propylpyrazine-2,6-diamine
CID 80799805
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-6-N-propylpyrazine-2,6-diamine
CID 80794812

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine?
The IUPAC name of 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine (CID 80798980) is 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine.
What is the SMILES notation for 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine?
The canonical SMILES for 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine is CCCNc1cncc(N(Cc2ccsc2)C2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine?
The InChIKey is DBVGGWBOXLRGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-6-17-14-8-16-9-15(18-14)19(13-3-4-13)10-12-5-7-20-11-12/h5,7-9,11,13H,2-4,6,10H2,1H3,(H,17,18).
What are the key properties of 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine?
2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-6-N-propyl-2-N-(thiophen-3-ylmethyl)pyrazine-2,6-diamine is sourced from PubChem (CID 80798980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).