2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C16H14N6OS — CID 138041673

IUPAC2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2nc(-c3ccncc3)no2)c2ccsc2n1
InChIInChI=1S/C16H14N6OS/c1-2-12-19-15(11-5-8-24-16(11)20-12)18-9-13-21-14(22-23-13)10-3-6-17-7-4-10/h3-8H,2,9H2,1H3,(H,18,19,20)
InChIKeyIRBOCZQLHSNZNB-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.31
Rot. Bonds5

About 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 138041673) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID138041673
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2nc(-c3ccncc3)no2)c2ccsc2n1
InChIInChI=1S/C16H14N6OS/c1-2-12-19-15(11-5-8-24-16(11)20-12)18-9-13-21-14(22-23-13)10-3-6-17-7-4-10/h3-8H,2,9H2,1H3,(H,18,19,20)
InChIKeyIRBOCZQLHSNZNB-UHFFFAOYSA-N
XLogP3.31
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 138041673) is 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2nc(-c3ccncc3)no2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IRBOCZQLHSNZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-2-12-19-15(11-5-8-24-16(11)20-12)18-9-13-21-14(22-23-13)10-3-6-17-7-4-10/h3-8H,2,9H2,1H3,(H,18,19,20).
What are the key properties of 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 338.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138041673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).