5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine

C22H20N2OS — CID 2400033

IUPAC5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2ccc(Oc3ncnc4sc(C)c(C)c34)c(C)c2)cc1
InChIInChI=1S/C22H20N2OS/c1-13-5-7-17(8-6-13)18-9-10-19(14(2)11-18)25-21-20-15(3)16(4)26-22(20)24-12-23-21/h5-12H,1-4H3
InChIKeyYLNAJMQJWOEJEC-UHFFFAOYSA-N
MW360.48 g/mol
LogP6.38
Rot. Bonds3

About 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine

5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine (PubChem CID 2400033) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
PubChem CID2400033
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2ccc(Oc3ncnc4sc(C)c(C)c34)c(C)c2)cc1
InChIInChI=1S/C22H20N2OS/c1-13-5-7-17(8-6-13)18-9-10-19(14(2)11-18)25-21-20-15(3)16(4)26-22(20)24-12-23-21/h5-12H,1-4H3
InChIKeyYLNAJMQJWOEJEC-UHFFFAOYSA-N
XLogP6.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine (CID 2400033) is 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine is Cc1ccc(-c2ccc(Oc3ncnc4sc(C)c(C)c34)c(C)c2)cc1.
What is the InChIKey of 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine?
The InChIKey is YLNAJMQJWOEJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-13-5-7-17(8-6-13)18-9-10-19(14(2)11-18)25-21-20-15(3)16(4)26-22(20)24-12-23-21/h5-12H,1-4H3.
What are the key properties of 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine?
5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine has a molecular weight of 360.48 g/mol, XLogP of 6.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-[2-methyl-4-(4-methylphenyl)phenoxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2400033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).