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

C17H17N5OS — CID 25231168

IUPAC[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(NCc2cccnc2)nc2ccsc12)N1CCCC1
InChIInChI=1S/C17H17N5OS/c23-16(22-7-1-2-8-22)14-15-13(5-9-24-15)20-17(21-14)19-11-12-4-3-6-18-10-12/h3-6,9-10H,1-2,7-8,11H2,(H,19,20,21)
InChIKeyFSGMCDGLBHIDGU-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.93
Rot. Bonds4

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

[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25231168) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is [2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID25231168
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nc(NCc2cccnc2)nc2ccsc12)N1CCCC1
InChIInChI=1S/C17H17N5OS/c23-16(22-7-1-2-8-22)14-15-13(5-9-24-15)20-17(21-14)19-11-12-4-3-6-18-10-12/h3-6,9-10H,1-2,7-8,11H2,(H,19,20,21)
InChIKeyFSGMCDGLBHIDGU-UHFFFAOYSA-N
XLogP2.93
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone (CID 25231168) is [2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(c1nc(NCc2cccnc2)nc2ccsc12)N1CCCC1.
What is the InChIKey of [2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FSGMCDGLBHIDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c23-16(22-7-1-2-8-22)14-15-13(5-9-24-15)20-17(21-14)19-11-12-4-3-6-18-10-12/h3-6,9-10H,1-2,7-8,11H2,(H,19,20,21).
What are the key properties of [2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 339.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25231168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).