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

C19H13ClN2O2S — CID 1228156

IUPAC5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H13ClN2O2S/c1-23-15-4-2-3-5-16(15)24-18-17-14(10-25-19(17)22-11-21-18)12-6-8-13(20)9-7-12/h2-11H,1H3
InChIKeyPYAINUJZWZVBOV-UHFFFAOYSA-N
MW368.85 g/mol
LogP5.81
Rot. Bonds4

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

5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 1228156) has the molecular formula C19H13ClN2O2S and a molecular weight of 368.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
PubChem CID1228156
Molecular FormulaC19H13ClN2O2S
Molecular Weight368.85 g/mol
Exact Mass368.04
IUPAC Name5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1ccccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C19H13ClN2O2S/c1-23-15-4-2-3-5-16(15)24-18-17-14(10-25-19(17)22-11-21-18)12-6-8-13(20)9-7-12/h2-11H,1H3
InChIKeyPYAINUJZWZVBOV-UHFFFAOYSA-N
XLogP5.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.85
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 4969541
4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 5220220
5-chloro-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzamide
CID 9251132
methyl 4-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate
CID 2334773
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2100349
2-[4-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1,3,4-oxadiazole
CID 9112699
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 20964581
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1-(2-methoxyphenyl)ethanone
CID 3390436
4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine
CID 2443282
4-(2,5-dimethylphenoxy)-5-(4-methylphenyl)thieno[2,3-d]pyrimidine
CID 3487676
5-(3,4-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 40773451
5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 67382265

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine (CID 1228156) is 5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine is COc1ccccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is PYAINUJZWZVBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O2S/c1-23-15-4-2-3-5-16(15)24-18-17-14(10-25-19(17)22-11-21-18)12-6-8-13(20)9-7-12/h2-11H,1H3.
What are the key properties of 5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine?
5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 368.85 g/mol, XLogP of 5.81, 4 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-methoxyphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 1228156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).