5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine

C20H15ClN2O2S — CID 4969541

IUPAC5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCCOc1ccccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C20H15ClN2O2S/c1-2-24-16-5-3-4-6-17(16)25-19-18-15(11-26-20(18)23-12-22-19)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3
InChIKeyRFBCDTNROMAFME-UHFFFAOYSA-N
MW382.87 g/mol
LogP6.20
Rot. Bonds5

About 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine

5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 4969541) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine
PubChem CID4969541
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Name5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCCOc1ccccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C20H15ClN2O2S/c1-2-24-16-5-3-4-6-17(16)25-19-18-15(11-26-20(18)23-12-22-19)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3
InChIKeyRFBCDTNROMAFME-UHFFFAOYSA-N
XLogP6.20
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 708734
T5282004
CID 2468821
MRGPRX1 agonist 2
CID 719971
6-Tert-butyl-4-(2-fluorophenoxy)-5-phenylthieno[2,3-d]pyrimidine
CID 163391841
6-Tert-butyl-4-(2-fluorophenoxy)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidine
CID 163391875
MRGPRX1 agonist 4
CID 163391903
4-Chloro-5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidine
CID 947433
4-(2-Phenoxyethoxy)thieno[2,3-d]pyrimidine
CID 2117015
4-Chloro-5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidine
CID 2446551
4-Chloro-5-(3,4-dimethoxyphenyl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2566116
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 5115067
5-(4-chlorophenyl)-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
CID 118712230

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine (CID 4969541) is 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine is CCOc1ccccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is RFBCDTNROMAFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-2-24-16-5-3-4-6-17(16)25-19-18-15(11-26-20(18)23-12-22-19)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine?
5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 382.87 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 4969541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).