2-methylthieno[3,4-d]pyrimidine

C7H6N2S — CID 71774283

IUPAC2-methylthieno[3,4-d]pyrimidine
SMILESCc1ncc2cscc2n1
InChIInChI=1S/C7H6N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2-4H,1H3
InChIKeyBVSJEVKFQOUJLH-UHFFFAOYSA-N
MW150.21 g/mol
LogP2.00
Rot. Bonds

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

2-methylthieno[3,4-d]pyrimidine (PubChem CID 71774283) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 2-methylthieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-methylthieno[3,4-d]pyrimidine
PubChem CID71774283
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name2-methylthieno[3,4-d]pyrimidine
SMILESCc1ncc2cscc2n1
InChIInChI=1S/C7H6N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2-4H,1H3
InChIKeyBVSJEVKFQOUJLH-UHFFFAOYSA-N
XLogP2.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylthieno[3,4-d]pyrimidine?
The IUPAC name of 2-methylthieno[3,4-d]pyrimidine (CID 71774283) is 2-methylthieno[3,4-d]pyrimidine.
What is the SMILES notation for 2-methylthieno[3,4-d]pyrimidine?
The canonical SMILES for 2-methylthieno[3,4-d]pyrimidine is Cc1ncc2cscc2n1.
What is the InChIKey of 2-methylthieno[3,4-d]pyrimidine?
The InChIKey is BVSJEVKFQOUJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-5-8-2-6-3-10-4-7(6)9-5/h2-4H,1H3.
What are the key properties of 2-methylthieno[3,4-d]pyrimidine?
2-methylthieno[3,4-d]pyrimidine has a molecular weight of 150.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylthieno[3,4-d]pyrimidine is sourced from PubChem (CID 71774283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).