[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

C18H19N5OS — CID 25231166

IUPAC[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
InChIInChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)
InChIKeyYSTPWPWIXDYZLT-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.50
Rot. Bonds4

About [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone

[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25231166) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID25231166
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1
InChIInChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22)
InChIKeyYSTPWPWIXDYZLT-UHFFFAOYSA-N
XLogP3.50
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 25231166) is [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is CC(Nc1nc(C(=O)N2CCCC2)c2sccc2n1)c1cccnc1.
What is the InChIKey of [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YSTPWPWIXDYZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-12(13-5-4-7-19-11-13)20-18-21-14-6-10-25-16(14)15(22-18)17(24)23-8-2-3-9-23/h4-7,10-12H,2-3,8-9H2,1H3,(H,20,21,22).
What are the key properties of [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 353.45 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-pyridin-3-ylethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25231166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).