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

C15H12Cl2N2OS — CID 4017331

IUPAC4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(OCc3c(Cl)cccc3Cl)c2c1C
InChIInChI=1S/C15H12Cl2N2OS/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-6-10-11(16)4-3-5-12(10)17/h3-5,7H,6H2,1-2H3
InChIKeyJJXDSJBTWIREPH-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.19
Rot. Bonds3

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

4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 4017331) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID4017331
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2ncnc(OCc3c(Cl)cccc3Cl)c2c1C
InChIInChI=1S/C15H12Cl2N2OS/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-6-10-11(16)4-3-5-12(10)17/h3-5,7H,6H2,1-2H3
InChIKeyJJXDSJBTWIREPH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2-chlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2484158
[2-chloro-6-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanamine
CID 114323825
4-[(2,4-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 3298243
4-[(2,6-dichlorophenyl)methoxy]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 4562047
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxymethyl]benzoate
CID 2694891
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenol
CID 60870662
2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethyl]aniline
CID 102902774
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-phenylacetamide
CID 2528122
1-[2-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyethoxy]phenyl]ethanone
CID 112776121
[4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyphenyl]methanol
CID 78906950
1-(2-chlorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 112839907
5,6-dimethyl-4-[2-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 166634115

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine (CID 4017331) is 4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2ncnc(OCc3c(Cl)cccc3Cl)c2c1C.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is JJXDSJBTWIREPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c1-8-9(2)21-15-13(8)14(18-7-19-15)20-6-10-11(16)4-3-5-12(10)17/h3-5,7H,6H2,1-2H3.
What are the key properties of 4-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine?
4-[(2,6-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-[(2,6-dichlorophenyl)methoxy]-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 4017331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).