4-butylthieno[3,2-d]pyrimidine

C10H12N2S — CID 178009105

IUPAC4-butylthieno[3,2-d]pyrimidine
SMILESCCCCc1ncnc2ccsc12
InChIInChI=1S/C10H12N2S/c1-2-3-4-8-10-9(5-6-13-10)12-7-11-8/h5-7H,2-4H2,1H3
InChIKeyFLMHESRVJUKUBY-UHFFFAOYSA-N
MW192.29 g/mol
LogP3.03
Rot. Bonds3

About 4-butylthieno[3,2-d]pyrimidine

4-butylthieno[3,2-d]pyrimidine (PubChem CID 178009105) has the molecular formula C10H12N2S and a molecular weight of 192.29 g/mol. Its IUPAC name is 4-butylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-butylthieno[3,2-d]pyrimidine
PubChem CID178009105
Molecular FormulaC10H12N2S
Molecular Weight192.29 g/mol
Exact Mass192.07
IUPAC Name4-butylthieno[3,2-d]pyrimidine
SMILESCCCCc1ncnc2ccsc12
InChIInChI=1S/C10H12N2S/c1-2-3-4-8-10-9(5-6-13-10)12-7-11-8/h5-7H,2-4H2,1H3
InChIKeyFLMHESRVJUKUBY-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-butylthieno[3,2-d]pyrimidine (CID 178009105) is 4-butylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-butylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-butylthieno[3,2-d]pyrimidine is CCCCc1ncnc2ccsc12.
What is the InChIKey of 4-butylthieno[3,2-d]pyrimidine?
The InChIKey is FLMHESRVJUKUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S/c1-2-3-4-8-10-9(5-6-13-10)12-7-11-8/h5-7H,2-4H2,1H3.
What are the key properties of 4-butylthieno[3,2-d]pyrimidine?
4-butylthieno[3,2-d]pyrimidine has a molecular weight of 192.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 178009105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).