VGLSCMPCDPYQTM-UHFFFAOYSA-N

Name: VGLSCMPCDPYQTM-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₇N₅OS₂ — CID 25230881

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 VGLSCMPCDPYQTM-UHFFFAOYSA-N

VGLSCMPCDPYQTM-UHFFFAOYSA-N (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	VGLSCMPCDPYQTM-UHFFFAOYSA-N
PubChem CID	25230881
Molecular Formula	C₁₉H₁₇N₅OS₂
Molecular Weight	395.51 g/mol
Exact Mass	395.09
IUPAC Name	[6-(dimethylamino)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILES	CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1
InChI	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)
InChIKey	VGLSCMPCDPYQTM-UHFFFAOYSA-N
XLogP	4.06
TPSA	71.01 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.51
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of VGLSCMPCDPYQTM-UHFFFAOYSA-N?

The IUPAC name of VGLSCMPCDPYQTM-UHFFFAOYSA-N (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 VGLSCMPCDPYQTM-UHFFFAOYSA-N?

The canonical SMILES for VGLSCMPCDPYQTM-UHFFFAOYSA-N is CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1.

What is the InChIKey of VGLSCMPCDPYQTM-UHFFFAOYSA-N?

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 VGLSCMPCDPYQTM-UHFFFAOYSA-N?

VGLSCMPCDPYQTM-UHFFFAOYSA-N 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 VGLSCMPCDPYQTM-UHFFFAOYSA-N is sourced from PubChem (CID 25230881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 25230881 — identifiers, structure, computed properties (public domain)

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