N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C13H13N5S2 — CID 63381541

IUPACN-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2cnccn2)nc2sccc12
InChIInChI=1S/C13H13N5S2/c1-2-15-12-9-3-6-19-13(9)18-10(17-12)8-20-11-7-14-4-5-16-11/h3-7H,2,8H2,1H3,(H,15,17,18)
InChIKeyNDJSUORYDYUJIL-UHFFFAOYSA-N
MW303.42 g/mol
LogP3.21
Rot. Bonds5

About N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63381541) has the molecular formula C13H13N5S2 and a molecular weight of 303.42 g/mol. Its IUPAC name is N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63381541
Molecular FormulaC13H13N5S2
Molecular Weight303.42 g/mol
Exact Mass303.06
IUPAC NameN-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2cnccn2)nc2sccc12
InChIInChI=1S/C13H13N5S2/c1-2-15-12-9-3-6-19-13(9)18-10(17-12)8-20-11-7-14-4-5-16-11/h3-7H,2,8H2,1H3,(H,15,17,18)
InChIKeyNDJSUORYDYUJIL-UHFFFAOYSA-N
XLogP3.21
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 63381541) is N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CSc2cnccn2)nc2sccc12.
What is the InChIKey of N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NDJSUORYDYUJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5S2/c1-2-15-12-9-3-6-19-13(9)18-10(17-12)8-20-11-7-14-4-5-16-11/h3-7H,2,8H2,1H3,(H,15,17,18).
What are the key properties of N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 303.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63381541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).