2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine

C12H15ClN2S — CID 129143474

IUPAC2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine
SMILESCCC(C)(C)c1nc(Cl)nc2c(C)csc12
InChIInChI=1S/C12H15ClN2S/c1-5-12(3,4)10-9-8(7(2)6-16-9)14-11(13)15-10/h6H,5H2,1-4H3
InChIKeyJIDFGQNLCGQCLZ-UHFFFAOYSA-N
MW254.79 g/mol
LogP4.34
Rot. Bonds2

About 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine

2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine (PubChem CID 129143474) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine
PubChem CID129143474
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine
SMILESCCC(C)(C)c1nc(Cl)nc2c(C)csc12
InChIInChI=1S/C12H15ClN2S/c1-5-12(3,4)10-9-8(7(2)6-16-9)14-11(13)15-10/h6H,5H2,1-4H3
InChIKeyJIDFGQNLCGQCLZ-UHFFFAOYSA-N
XLogP4.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine (CID 129143474) is 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine is CCC(C)(C)c1nc(Cl)nc2c(C)csc12.
What is the InChIKey of 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine?
The InChIKey is JIDFGQNLCGQCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-5-12(3,4)10-9-8(7(2)6-16-9)14-11(13)15-10/h6H,5H2,1-4H3.
What are the key properties of 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine?
2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine has a molecular weight of 254.79 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-4-(2-methylbutan-2-yl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 129143474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).