4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine

C13H8ClFN2OS — CID 2524224

IUPAC4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine
SMILESFc1ccc(COc2ncnc3sccc23)c(Cl)c1
InChIInChI=1S/C13H8ClFN2OS/c14-11-5-9(15)2-1-8(11)6-18-12-10-3-4-19-13(10)17-7-16-12/h1-5,7H,6H2
InChIKeyXXRQQNLWFDDDFT-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.06
Rot. Bonds3

About 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine

4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine (PubChem CID 2524224) has the molecular formula C13H8ClFN2OS and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine
PubChem CID2524224
Molecular FormulaC13H8ClFN2OS
Molecular Weight294.74 g/mol
Exact Mass294.00
IUPAC Name4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine
SMILESFc1ccc(COc2ncnc3sccc23)c(Cl)c1
InChIInChI=1S/C13H8ClFN2OS/c14-11-5-9(15)2-1-8(11)6-18-12-10-3-4-19-13(10)17-7-16-12/h1-5,7H,6H2
InChIKeyXXRQQNLWFDDDFT-UHFFFAOYSA-N
XLogP4.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 708734
4-Phenoxythieno[2,3-d]pyrimidine
CID 710993
T5282004
CID 2468821
4-(4-Methylphenoxy)thieno[2,3-d]pyrimidine
CID 710977
MRGPRX1 agonist 2
CID 719971
MRGPRX1 agonist 3
CID 9212907
6-Tert-butyl-4-(2-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 163391869
4-(4-Methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2457327
4-Methoxy-6-phenylthieno[2,3-d]pyrimidine
CID 1039883
4-(2-Phenoxyethoxy)thieno[2,3-d]pyrimidine
CID 2117015
4-(3-Chlorobenzyloxy)-2-(piperazin-1-yl)thieno[2,3-d]pyrimidine
CID 46228423
5,6-Dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine (CID 2524224) is 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine is Fc1ccc(COc2ncnc3sccc23)c(Cl)c1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine?
The InChIKey is XXRQQNLWFDDDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2OS/c14-11-5-9(15)2-1-8(11)6-18-12-10-3-4-19-13(10)17-7-16-12/h1-5,7H,6H2.
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine?
4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine has a molecular weight of 294.74 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenyl)methoxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2524224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).