4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine

C15H12Cl2N2OS — CID 3298243

IUPAC4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(OCc3ccc(Cl)cc3Cl)c2c1C
InChIInChI=1S/C15H12Cl2N2OS/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-6-10-3-4-11(16)5-12(10)17/h3-5,7H,6H2,1-2H3
InChIKeyQWXKUTLXWQYNOP-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.19
Rot. Bonds3

About 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine

4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 3298243) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID3298243
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(OCc3ccc(Cl)cc3Cl)c2c1C
InChIInChI=1S/C15H12Cl2N2OS/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-6-10-3-4-11(16)5-12(10)17/h3-5,7H,6H2,1-2H3
InChIKeyQWXKUTLXWQYNOP-UHFFFAOYSA-N
XLogP5.19
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2484158
4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 4017331
12-[(2,4-dichlorophenyl)methoxy]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 4212632
5-chloro-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxybenzamide
CID 9251119
N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2484160
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
3-[2-(2,4-dichlorophenoxy)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7629900
4-(hexazinanyloxy)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 123620501
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
CID 2400033
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-2,5-difluoroaniline
CID 63599367

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine (CID 3298243) is 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(OCc3ccc(Cl)cc3Cl)c2c1C.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is QWXKUTLXWQYNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-6-10-3-4-11(16)5-12(10)17/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 339.25 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 3298243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).