2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine

C16H14N6S — CID 133404787

IUPAC2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(Nc2cccc(-n3ccnn3)c2)c2ccsc2n1
InChIInChI=1S/C16H14N6S/c1-2-14-19-15(13-6-9-23-16(13)20-14)18-11-4-3-5-12(10-11)22-8-7-17-21-22/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyAKKQZDOITUSHSX-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.58
Rot. Bonds4

About 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133404787) has the molecular formula C16H14N6S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133404787
Molecular FormulaC16H14N6S
Molecular Weight322.40 g/mol
Exact Mass322.10
IUPAC Name2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(Nc2cccc(-n3ccnn3)c2)c2ccsc2n1
InChIInChI=1S/C16H14N6S/c1-2-14-19-15(13-6-9-23-16(13)20-14)18-11-4-3-5-12(10-11)22-8-7-17-21-22/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyAKKQZDOITUSHSX-UHFFFAOYSA-N
XLogP3.58
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine (CID 133404787) is 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(Nc2cccc(-n3ccnn3)c2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AKKQZDOITUSHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S/c1-2-14-19-15(13-6-9-23-16(13)20-14)18-11-4-3-5-12(10-11)22-8-7-17-21-22/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 322.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(triazol-1-yl)phenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133404787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).