1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone

C12H6F3N3OS — CID 22674492

IUPAC1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccc[nH]1)c1nc(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C12H6F3N3OS/c13-12(14,15)11-17-7-3-5-20-10(7)8(18-11)9(19)6-2-1-4-16-6/h1-5,16H
InChIKeyROOJVVSBHUKHJA-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.27
Rot. Bonds2

About 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone

1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 22674492) has the molecular formula C12H6F3N3OS and a molecular weight of 297.26 g/mol. Its IUPAC name is 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID22674492
Molecular FormulaC12H6F3N3OS
Molecular Weight297.26 g/mol
Exact Mass297.02
IUPAC Name1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccc[nH]1)c1nc(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C12H6F3N3OS/c13-12(14,15)11-17-7-3-5-20-10(7)8(18-11)9(19)6-2-1-4-16-6/h1-5,16H
InChIKeyROOJVVSBHUKHJA-UHFFFAOYSA-N
XLogP3.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(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
1,3-Thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 22674484
{6-Methylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25207803
{6-Dimethylamino-2-[(pyridine-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25230881
{6-Ethylamino-2-[(pyridin-3-ylmethyl)-amino]-thieno[3,2-d]pyrimidin-4-yl}-thiophen-2-yl-methanone
CID 25230948

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 22674492) is 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone is O=C(c1ccc[nH]1)c1nc(C(F)(F)F)nc2ccsc12.
What is the InChIKey of 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is ROOJVVSBHUKHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3OS/c13-12(14,15)11-17-7-3-5-20-10(7)8(18-11)9(19)6-2-1-4-16-6/h1-5,16H.
What are the key properties of 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 297.26 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 22674492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).