[2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

C13H11N3O2S2 — CID 22674390

IUPAC[2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(NCCO)nc2ccsc12
InChIInChI=1S/C13H11N3O2S2/c17-5-4-14-13-15-8-3-7-20-12(8)10(16-13)11(18)9-2-1-6-19-9/h1-3,6-7,17H,4-5H2,(H,14,15,16)
InChIKeyPGCHQXADUKRVDJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.39
Rot. Bonds5

About [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone

[2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 22674390) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
PubChem CID22674390
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name[2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1nc(NCCO)nc2ccsc12
InChIInChI=1S/C13H11N3O2S2/c17-5-4-14-13-15-8-3-7-20-12(8)10(16-13)11(18)9-2-1-6-19-9/h1-3,6-7,17H,4-5H2,(H,14,15,16)
InChIKeyPGCHQXADUKRVDJ-UHFFFAOYSA-N
XLogP2.39
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-Aminothieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 9903342
Thiophen-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 11278445
2-Ethylthieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 22674365
(2-Methylthieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674372
(2-Methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674386
[2-(Ethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674410
[2-(3-Hydroxypropylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674411
2-Hydrazinothieno[3,2-d]pyrimidin-4-yl 2-thienylmethanone
CID 22674428
[2-(Dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674456
[2-(Benzylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674477
1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 22674492
{6-Amino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25230949

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (CID 22674390) is [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1nc(NCCO)nc2ccsc12.
What is the InChIKey of [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is PGCHQXADUKRVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c17-5-4-14-13-15-8-3-7-20-12(8)10(16-13)11(18)9-2-1-6-19-9/h1-3,6-7,17H,4-5H2,(H,14,15,16).
What are the key properties of [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
[2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 305.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 22674390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).