[6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

C19H17N5OS2 — CID 25230881

IUPAC[6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
InChIInChI=1S/C19H17N5OS2/c1-24(2)15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)23-19(22-13)21-11-12-5-3-7-20-10-12/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyVGLSCMPCDPYQTM-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.06
Rot. Bonds6

About [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

[6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 25230881) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
PubChem CID25230881
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name[6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
InChIInChI=1S/C19H17N5OS2/c1-24(2)15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)23-19(22-13)21-11-12-5-3-7-20-10-12/h3-10H,11H2,1-2H3,(H,21,22,23)
InChIKeyVGLSCMPCDPYQTM-UHFFFAOYSA-N
XLogP4.06
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (CID 25230881) is [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1.
What is the InChIKey of [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is VGLSCMPCDPYQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-24(2)15-9-13-18(27-15)16(17(25)14-6-4-8-26-14)23-19(22-13)21-11-12-5-3-7-20-10-12/h3-10H,11H2,1-2H3,(H,21,22,23).
What are the key properties of [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
[6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 395.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 25230881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).