2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

C9H7F3N2OS — CID 153215661

IUPAC2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESCOc1ncc2cc(CC(F)(F)F)sc2n1
InChIInChI=1S/C9H7F3N2OS/c1-15-8-13-4-5-2-6(3-9(10,11)12)16-7(5)14-8/h2,4H,3H2,1H3
InChIKeyWMQSLTXWSISRCT-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.80
Rot. Bonds2

About 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (PubChem CID 153215661) has the molecular formula C9H7F3N2OS and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
PubChem CID153215661
Molecular FormulaC9H7F3N2OS
Molecular Weight248.23 g/mol
Exact Mass248.02
IUPAC Name2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
SMILESCOc1ncc2cc(CC(F)(F)F)sc2n1
InChIInChI=1S/C9H7F3N2OS/c1-15-8-13-4-5-2-6(3-9(10,11)12)16-7(5)14-8/h2,4H,3H2,1H3
InChIKeyWMQSLTXWSISRCT-UHFFFAOYSA-N
XLogP2.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine
CID 72201086
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(Pentafluoroethyl)thieno[2,3-D]pyrimidine
CID 90453135
4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]-6-(2-Fluoroethyl)thieno[2,3-D]pyrimidine
CID 91864570
6-(2,2-Difluoroethyl)-4-[4-(5,5-Dimethyl-4,5-Dihydro-1,3-Thiazol-2-Yl)piperazin-1-Yl]thieno[2,3-D]pyrimidine
CID 122189305
N-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2524595
[(6-Ethylthieno[2,3-d]pyrimidin-4-yl)thio]acetonitrile
CID 2203207
[(6-Methylthieno[2,3-d]pyrimidin-4-yl)thio]acetic acid
CID 4737003
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-(1,1,1-trifluoropropan-2-yl)thieno[2,3-d]pyrimidine
CID 86298082
4-Chloro-6-ethylthieno[2,3-d]pyrimidine
CID 916176
2-((6-Ethylthieno[2,3-d]pyrimidin-4-yl)amino)ethanol
CID 648537
6-Methyl-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 3235618
6-Ethyl-4-(4-methyl-piperazin-1-yl)-thieno[2,3-d]pyrimidine
CID 9549372

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine (CID 153215661) is 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is COc1ncc2cc(CC(F)(F)F)sc2n1.
What is the InChIKey of 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
The InChIKey is WMQSLTXWSISRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2OS/c1-15-8-13-4-5-2-6(3-9(10,11)12)16-7(5)14-8/h2,4H,3H2,1H3.
What are the key properties of 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine?
2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine has a molecular weight of 248.23 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 153215661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).