6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine

C10H11ClN2S — CID 2757266

IUPAC6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine
SMILESCC(C)(C)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C10H11ClN2S/c1-10(2,3)7-4-6-8(14-7)9(11)13-5-12-6/h4-5H,1-3H3
InChIKeyHRULXTDXJYTJPU-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.64
Rot. Bonds

About 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine

6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine (PubChem CID 2757266) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine
PubChem CID2757266
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine
SMILESCC(C)(C)c1cc2ncnc(Cl)c2s1
InChIInChI=1S/C10H11ClN2S/c1-10(2,3)7-4-6-8(14-7)9(11)13-5-12-6/h4-5H,1-3H3
InChIKeyHRULXTDXJYTJPU-UHFFFAOYSA-N
XLogP3.64
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine?
The IUPAC name of 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine (CID 2757266) is 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine is CC(C)(C)c1cc2ncnc(Cl)c2s1.
What is the InChIKey of 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine?
The InChIKey is HRULXTDXJYTJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-10(2,3)7-4-6-8(14-7)9(11)13-5-12-6/h4-5H,1-3H3.
What are the key properties of 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine?
6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine has a molecular weight of 226.73 g/mol, XLogP of 3.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-chlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 2757266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).