4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine

C15H13ClN2OS — CID 137498850

IUPAC4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1cc(C)c(-c2csc3ncnc(Cl)c23)c(C)c1
InChIInChI=1S/C15H13ClN2OS/c1-8-4-10(19-3)5-9(2)12(8)11-6-20-15-13(11)14(16)17-7-18-15/h4-7H,1-3H3
InChIKeyZNOSOMZWVXFNEH-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.64
Rot. Bonds2

About 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine

4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine (PubChem CID 137498850) has the molecular formula C15H13ClN2OS and a molecular weight of 304.80 g/mol. Its IUPAC name is 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine
PubChem CID137498850
Molecular FormulaC15H13ClN2OS
Molecular Weight304.80 g/mol
Exact Mass304.04
IUPAC Name4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1cc(C)c(-c2csc3ncnc(Cl)c23)c(C)c1
InChIInChI=1S/C15H13ClN2OS/c1-8-4-10(19-3)5-9(2)12(8)11-6-20-15-13(11)14(16)17-7-18-15/h4-7H,1-3H3
InChIKeyZNOSOMZWVXFNEH-UHFFFAOYSA-N
XLogP4.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
CID 144926094
5-chloro-4-methoxythieno[2,3-d]pyrimidine
CID 15745772
ethyl 4-chlorothieno[2,3-d]pyrimidine-5-carboxylate
CID 56687059
N-(2,5-dimethylphenyl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009652
5-(4-amino-2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 69063349
N-(2,5-dimethoxyphenyl)-5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21011399
5-(4-chlorophenyl)-N-[(2,4-dimethoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 46347959
3-amino-4-(4-methoxy-2,6-dimethylphenyl)thiophene-2-carboxylic acid
CID 83971349
N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 57422571
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21010737
4-chloro-2-[[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011514
5-methoxy-2-(2-methoxyphenyl)-1,3-dimethylbenzene
CID 173290629

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine (CID 137498850) is 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine is COc1cc(C)c(-c2csc3ncnc(Cl)c23)c(C)c1.
What is the InChIKey of 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is ZNOSOMZWVXFNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2OS/c1-8-4-10(19-3)5-9(2)12(8)11-6-20-15-13(11)14(16)17-7-18-15/h4-7H,1-3H3.
What are the key properties of 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine?
4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 304.80 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-methoxy-2,6-dimethylphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 137498850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).