6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine

C15H17N5S — CID 99857961

IUPAC6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine
SMILESCC[C@H](Nc1cncc(-n2ccnc2C)n1)c1cccs1
InChIInChI=1S/C15H17N5S/c1-3-12(13-5-4-8-21-13)18-14-9-16-10-15(19-14)20-7-6-17-11(20)2/h4-10,12H,3H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyLKQYWYLIKAXGQP-LBPRGKRZSA-N
MW299.40 g/mol
LogP3.60
Rot. Bonds5

About 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine

6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine (PubChem CID 99857961) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine
PubChem CID99857961
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine
SMILESCC[C@H](Nc1cncc(-n2ccnc2C)n1)c1cccs1
InChIInChI=1S/C15H17N5S/c1-3-12(13-5-4-8-21-13)18-14-9-16-10-15(19-14)20-7-6-17-11(20)2/h4-10,12H,3H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyLKQYWYLIKAXGQP-LBPRGKRZSA-N
XLogP3.60
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine?
The IUPAC name of 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine (CID 99857961) is 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine is CC[C@H](Nc1cncc(-n2ccnc2C)n1)c1cccs1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine?
The InChIKey is LKQYWYLIKAXGQP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5S/c1-3-12(13-5-4-8-21-13)18-14-9-16-10-15(19-14)20-7-6-17-11(20)2/h4-10,12H,3H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine?
6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine has a molecular weight of 299.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrazin-2-amine is sourced from PubChem (CID 99857961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).