phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone

C14H7F3N2OS — CID 22674379

IUPACphenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccccc1)c1nc(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C14H7F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7H
InChIKeyQUXRIHFVPDCLLJ-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.94
Rot. Bonds2

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

phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 22674379) has the molecular formula C14H7F3N2OS and a molecular weight of 308.28 g/mol. Its IUPAC name is phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID22674379
Molecular FormulaC14H7F3N2OS
Molecular Weight308.28 g/mol
Exact Mass308.02
IUPAC Namephenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1ccccc1)c1nc(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C14H7F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7H
InChIKeyQUXRIHFVPDCLLJ-UHFFFAOYSA-N
XLogP3.94
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[3-(Dimethylamino)propylamino]-2-(methylamino)thieno[3,2-d]pyrimidin-6-yl]phenyl]ethanone
CID 76332495
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
Thiophen-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 22674393
[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
Pyridin-3-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 44450189
(2-Aminothieno[3,2-d]pyrimidin-4-yl)(5-methylthiophen-2-yl)methanone
CID 46882997
(5-Methylthiophen-2-yl)(2-(1-phenylethylamino)thieno[3,2-d]pyrimidin-4-yl)methanone
CID 46883041

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 22674379) is phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone is O=C(c1ccccc1)c1nc(C(F)(F)F)nc2ccsc12.
What is the InChIKey of phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is QUXRIHFVPDCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2OS/c15-14(16,17)13-18-9-6-7-21-12(9)10(19-13)11(20)8-4-2-1-3-5-8/h1-7H.
What are the key properties of phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 308.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 22674379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).