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

C13H11N3OS2 — CID 22674456

IUPAC[2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C13H11N3OS2/c1-16(2)13-14-8-5-7-19-12(8)10(15-13)11(17)9-4-3-6-18-9/h3-7H,1-2H3
InChIKeyPEWSMSKQFJWWOV-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.05
Rot. Bonds3

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

[2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (PubChem CID 22674456) has the molecular formula C13H11N3OS2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
PubChem CID22674456
Molecular FormulaC13H11N3OS2
Molecular Weight289.38 g/mol
Exact Mass289.03
IUPAC Name[2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
SMILESCN(C)c1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C13H11N3OS2/c1-16(2)13-14-8-5-7-19-12(8)10(15-13)11(17)9-4-3-6-18-9/h3-7H,1-2H3
InChIKeyPEWSMSKQFJWWOV-UHFFFAOYSA-N
XLogP3.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
Phenyl 2-trifluoromethylthieno[3,2-d]pyrimidin-4-ylmethanone
CID 22674379
(2-Methoxythieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674386
[2-(2-Hydroxyethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674390
Thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 22674393
[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-(Benzylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 22674477

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone (CID 22674456) is [2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is CN(C)c1nc(C(=O)c2cccs2)c2sccc2n1.
What is the InChIKey of [2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
The InChIKey is PEWSMSKQFJWWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS2/c1-16(2)13-14-8-5-7-19-12(8)10(15-13)11(17)9-4-3-6-18-9/h3-7H,1-2H3.
What are the key properties of [2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone?
[2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 22674456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).