2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine

C12H15ClN2S — CID 61269033

IUPAC2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(C(C)(C)C)nc(Cl)c2c1C
InChIInChI=1S/C12H15ClN2S/c1-6-7(2)16-10-8(6)9(13)14-11(15-10)12(3,4)5/h1-5H3
InChIKeyAHJRXHPBKDKYTK-UHFFFAOYSA-N
MW254.79 g/mol
LogP4.26
Rot. Bonds

About 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine

2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 61269033) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID61269033
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1sc2nc(C(C)(C)C)nc(Cl)c2c1C
InChIInChI=1S/C12H15ClN2S/c1-6-7(2)16-10-8(6)9(13)14-11(15-10)12(3,4)5/h1-5H3
InChIKeyAHJRXHPBKDKYTK-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine (CID 61269033) is 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1sc2nc(C(C)(C)C)nc(Cl)c2c1C.
What is the InChIKey of 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is AHJRXHPBKDKYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-6-7(2)16-10-8(6)9(13)14-11(15-10)12(3,4)5/h1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine?
2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 254.79 g/mol, XLogP of 4.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 61269033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).