2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine

C15H13ClN2S — CID 71072779

IUPAC2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine
SMILESCCc1nc(-c2ccccc2Cl)nc2c(C)csc12
InChIInChI=1S/C15H13ClN2S/c1-3-12-14-13(9(2)8-19-14)18-15(17-12)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3
InChIKeyROOICXIIDRIUBE-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.88
Rot. Bonds2

About 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine

2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine (PubChem CID 71072779) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine
PubChem CID71072779
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC Name2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine
SMILESCCc1nc(-c2ccccc2Cl)nc2c(C)csc12
InChIInChI=1S/C15H13ClN2S/c1-3-12-14-13(9(2)8-19-14)18-15(17-12)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3
InChIKeyROOICXIIDRIUBE-UHFFFAOYSA-N
XLogP4.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine (CID 71072779) is 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine is CCc1nc(-c2ccccc2Cl)nc2c(C)csc12.
What is the InChIKey of 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine?
The InChIKey is ROOICXIIDRIUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-3-12-14-13(9(2)8-19-14)18-15(17-12)10-6-4-5-7-11(10)16/h4-8H,3H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine?
2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine has a molecular weight of 288.80 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-ethyl-7-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 71072779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).