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

C25H17ClN2OS — CID 5220220

IUPAC4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(Oc4ccc(Cc5ccccc5)cc4)c23)cc1
InChIInChI=1S/C25H17ClN2OS/c26-20-10-8-19(9-11-20)22-15-30-25-23(22)24(27-16-28-25)29-21-12-6-18(7-13-21)14-17-4-2-1-3-5-17/h1-13,15-16H,14H2
InChIKeyRIASHPMBTMVGDO-UHFFFAOYSA-N
MW428.94 g/mol
LogP7.39
Rot. Bonds5

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

4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine (PubChem CID 5220220) has the molecular formula C25H17ClN2OS and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
PubChem CID5220220
Molecular FormulaC25H17ClN2OS
Molecular Weight428.94 g/mol
Exact Mass428.08
IUPAC Name4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(Oc4ccc(Cc5ccccc5)cc4)c23)cc1
InChIInChI=1S/C25H17ClN2OS/c26-20-10-8-19(9-11-20)22-15-30-25-23(22)24(27-16-28-25)29-21-12-6-18(7-13-21)14-17-4-2-1-3-5-17/h1-13,15-16H,14H2
InChIKeyRIASHPMBTMVGDO-UHFFFAOYSA-N
XLogP7.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)-4-(4-phenylmethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 2415818
5-(4-chlorophenyl)-4-(2-ethoxyphenoxy)thieno[2,3-d]pyrimidine
CID 4969541
4-(5-phenylthieno[2,3-d]pyrimidin-4-yl)oxybenzaldehyde
CID 4737873
5-(4-chlorophenyl)-4-(2-methoxyphenoxy)thieno[2,3-d]pyrimidine
CID 1228156
2-[4-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]-1,3,4-oxadiazole
CID 9112699
methyl 4-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate
CID 2334773
4-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzaldehyde
CID 4737881
4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 16553301
5-(4-fluorophenyl)-4-(3-phenoxypropoxy)thieno[2,3-d]pyrimidine
CID 11668030
4-[(3-fluoro-4-methoxyphenyl)methoxy]-5-phenylthieno[2,3-d]pyrimidine
CID 2443282
2-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-1-pyrrolidin-1-ylethanone
CID 2085156
4-(3-nitrophenoxy)-5-phenylthieno[2,3-d]pyrimidine
CID 17429787

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine (CID 5220220) is 4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine is Clc1ccc(-c2csc3ncnc(Oc4ccc(Cc5ccccc5)cc4)c23)cc1.
What is the InChIKey of 4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine?
The InChIKey is RIASHPMBTMVGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2OS/c26-20-10-8-19(9-11-20)22-15-30-25-23(22)24(27-16-28-25)29-21-12-6-18(7-13-21)14-17-4-2-1-3-5-17/h1-13,15-16H,14H2.
What are the key properties of 4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine?
4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine has a molecular weight of 428.94 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenoxy)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 5220220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).