ethane;6-methylthieno[3,2-d]pyrimidine

C9H12N2S — CID 144655861

IUPACethane;6-methylthieno[3,2-d]pyrimidine
SMILESCC.Cc1cc2ncncc2s1
InChIInChI=1S/C7H6N2S.C2H6/c1-5-2-6-7(10-5)3-8-4-9-6;1-2/h2-4H,1H3;1-2H3
InChIKeyONJMQNDFCUXKEP-UHFFFAOYSA-N
MW180.28 g/mol
LogP3.03
Rot. Bonds

About ethane;6-methylthieno[3,2-d]pyrimidine

ethane;6-methylthieno[3,2-d]pyrimidine (PubChem CID 144655861) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is ethane;6-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Nameethane;6-methylthieno[3,2-d]pyrimidine
PubChem CID144655861
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Nameethane;6-methylthieno[3,2-d]pyrimidine
SMILESCC.Cc1cc2ncncc2s1
InChIInChI=1S/C7H6N2S.C2H6/c1-5-2-6-7(10-5)3-8-4-9-6;1-2/h2-4H,1H3;1-2H3
InChIKeyONJMQNDFCUXKEP-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methylthieno[3,2-d]pyrimidine?
The IUPAC name of ethane;6-methylthieno[3,2-d]pyrimidine (CID 144655861) is ethane;6-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for ethane;6-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for ethane;6-methylthieno[3,2-d]pyrimidine is CC.Cc1cc2ncncc2s1.
What is the InChIKey of ethane;6-methylthieno[3,2-d]pyrimidine?
The InChIKey is ONJMQNDFCUXKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S.C2H6/c1-5-2-6-7(10-5)3-8-4-9-6;1-2/h2-4H,1H3;1-2H3.
What are the key properties of ethane;6-methylthieno[3,2-d]pyrimidine?
ethane;6-methylthieno[3,2-d]pyrimidine has a molecular weight of 180.28 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 144655861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).