5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine

C17H13N3S — CID 39776274

IUPAC5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine
SMILESCc1ccc2c(-c3ncnc4scc(C)c34)cccc2n1
InChIInChI=1S/C17H13N3S/c1-10-8-21-17-15(10)16(18-9-19-17)13-4-3-5-14-12(13)7-6-11(2)20-14/h3-9H,1-2H3
InChIKeyNMOQPVFQFSMXBM-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.52
Rot. Bonds1

About 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine

5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine (PubChem CID 39776274) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine
PubChem CID39776274
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine
SMILESCc1ccc2c(-c3ncnc4scc(C)c34)cccc2n1
InChIInChI=1S/C17H13N3S/c1-10-8-21-17-15(10)16(18-9-19-17)13-4-3-5-14-12(13)7-6-11(2)20-14/h3-9H,1-2H3
InChIKeyNMOQPVFQFSMXBM-UHFFFAOYSA-N
XLogP4.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine (CID 39776274) is 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine is Cc1ccc2c(-c3ncnc4scc(C)c34)cccc2n1.
What is the InChIKey of 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine?
The InChIKey is NMOQPVFQFSMXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-10-8-21-17-15(10)16(18-9-19-17)13-4-3-5-14-12(13)7-6-11(2)20-14/h3-9H,1-2H3.
What are the key properties of 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine?
5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine has a molecular weight of 291.38 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylquinolin-5-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 39776274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).