6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine

C14H9F3N2OS — CID 20963306

IUPAC6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3cccc(C(F)(F)F)c3)ncnc2s1
InChIInChI=1S/C14H9F3N2OS/c1-8-5-11-12(18-7-19-13(11)21-8)20-10-4-2-3-9(6-10)14(15,16)17/h2-7H,1H3
InChIKeyBPEBPEYTHLOEHG-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.81
Rot. Bonds2

About 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine

6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine (PubChem CID 20963306) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
PubChem CID20963306
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
SMILESCc1cc2c(Oc3cccc(C(F)(F)F)c3)ncnc2s1
InChIInChI=1S/C14H9F3N2OS/c1-8-5-11-12(18-7-19-13(11)21-8)20-10-4-2-3-9(6-10)14(15,16)17/h2-7H,1H3
InChIKeyBPEBPEYTHLOEHG-UHFFFAOYSA-N
XLogP4.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 133409231
4-(3,5-dimethoxyphenoxy)-6-methylthieno[2,3-d]pyrimidine
CID 133407602
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzoic acid
CID 63616892
4-(2,3-dihydro-1H-inden-5-yloxy)-6-methylthieno[2,3-d]pyrimidine
CID 133407372
4-[3-(trifluoromethyl)phenoxy]thieno[3,2-d]pyrimidine
CID 138038554
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
1-(3-chloro-4-methylphenyl)-4-[3-(trifluoromethyl)phenoxy]pyrazolo[5,4-d]pyrimidine
CID 8540644
5,6-dimethyl-1-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 71178034
5-(4-fluorophenyl)-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 3760290
4-phenoxy-6-phenylthieno[2,3-d]pyrimidine
CID 2408628
[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910964
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241247

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine (CID 20963306) is 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine is Cc1cc2c(Oc3cccc(C(F)(F)F)c3)ncnc2s1.
What is the InChIKey of 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
The InChIKey is BPEBPEYTHLOEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c1-8-5-11-12(18-7-19-13(11)21-8)20-10-4-2-3-9(6-10)14(15,16)17/h2-7H,1H3.
What are the key properties of 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine?
6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine has a molecular weight of 310.30 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 20963306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).