N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

C15H15N5OS — CID 25231167

IUPACN-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C15H15N5OS/c1-2-17-14(21)12-13-11(5-7-22-13)19-15(20-12)18-9-10-4-3-6-16-8-10/h3-8H,2,9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyWSHPWYGGKQYRRF-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.45
Rot. Bonds5

About N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide

N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 25231167) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID25231167
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12
InChIInChI=1S/C15H15N5OS/c1-2-17-14(21)12-13-11(5-7-22-13)19-15(20-12)18-9-10-4-3-6-16-8-10/h3-8H,2,9H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyWSHPWYGGKQYRRF-UHFFFAOYSA-N
XLogP2.45
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide (CID 25231167) is N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is CCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12.
What is the InChIKey of N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is WSHPWYGGKQYRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-2-17-14(21)12-13-11(5-7-22-13)19-15(20-12)18-9-10-4-3-6-16-8-10/h3-8H,2,9H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide?
N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 25231167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).