2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine

C20H13ClF3N3OS — CID 173144094

IUPAC2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine
SMILESCCc1ccc(Oc2ccc(C(F)(F)F)cn2)c(-c2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C20H13ClF3N3OS/c1-2-11-3-5-15(28-16-6-4-12(10-25-16)20(22,23)24)14(9-11)17-13-7-8-29-18(13)27-19(21)26-17/h3-10H,2H2,1H3
InChIKeyOJSPDRGIHZBHTI-UHFFFAOYSA-N
MW435.86 g/mol
LogP6.78
Rot. Bonds4

About 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine

2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine (PubChem CID 173144094) has the molecular formula C20H13ClF3N3OS and a molecular weight of 435.86 g/mol. Its IUPAC name is 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine
PubChem CID173144094
Molecular FormulaC20H13ClF3N3OS
Molecular Weight435.86 g/mol
Exact Mass435.04
IUPAC Name2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine
SMILESCCc1ccc(Oc2ccc(C(F)(F)F)cn2)c(-c2nc(Cl)nc3sccc23)c1
InChIInChI=1S/C20H13ClF3N3OS/c1-2-11-3-5-15(28-16-6-4-12(10-25-16)20(22,23)24)14(9-11)17-13-7-8-29-18(13)27-19(21)26-17/h3-10H,2H2,1H3
InChIKeyOJSPDRGIHZBHTI-UHFFFAOYSA-N
XLogP6.78
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.86
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(4-ethylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321385
[4-chloro-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanamine
CID 114323896
2-chloro-4-ethoxythieno[2,3-d]pyrimidine
CID 103319715
2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 2435081
4-methoxy-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzonitrile
CID 21463678
3-methoxy-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzaldehyde
CID 39860875
2-(2-methoxyphenoxy)-5-(trifluoromethyl)pyridine
CID 70516115
4-(2-tert-butyl-4-ethylphenoxy)-2-chloro-6-methylpyrimidine
CID 63504492
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
5-chloro-N-[2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]-6-ethylpyrimidin-4-amine
CID 90131212
2-(5-bromo-2-methylphenoxy)-5-(trifluoromethyl)pyridine
CID 66876057
5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 65429611

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine (CID 173144094) is 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine is CCc1ccc(Oc2ccc(C(F)(F)F)cn2)c(-c2nc(Cl)nc3sccc23)c1.
What is the InChIKey of 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine?
The InChIKey is OJSPDRGIHZBHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3OS/c1-2-11-3-5-15(28-16-6-4-12(10-25-16)20(22,23)24)14(9-11)17-13-7-8-29-18(13)27-19(21)26-17/h3-10H,2H2,1H3.
What are the key properties of 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine?
2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine has a molecular weight of 435.86 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-ethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 173144094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).