7-cyclopropylthieno[3,2-d]pyrimidine

C9H8N2S — CID 174703681

IUPAC7-cyclopropylthieno[3,2-d]pyrimidine
SMILESc1ncc2scc(C3CC3)c2n1
InChIInChI=1S/C9H8N2S/c1-2-6(1)7-4-12-8-3-10-5-11-9(7)8/h3-6H,1-2H2
InChIKeyIBEDLXDVECNGKB-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.57
Rot. Bonds1

About 7-cyclopropylthieno[3,2-d]pyrimidine

7-cyclopropylthieno[3,2-d]pyrimidine (PubChem CID 174703681) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 7-cyclopropylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-cyclopropylthieno[3,2-d]pyrimidine
PubChem CID174703681
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name7-cyclopropylthieno[3,2-d]pyrimidine
SMILESc1ncc2scc(C3CC3)c2n1
InChIInChI=1S/C9H8N2S/c1-2-6(1)7-4-12-8-3-10-5-11-9(7)8/h3-6H,1-2H2
InChIKeyIBEDLXDVECNGKB-UHFFFAOYSA-N
XLogP2.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylthieno[3,2-d]pyrimidine?
The IUPAC name of 7-cyclopropylthieno[3,2-d]pyrimidine (CID 174703681) is 7-cyclopropylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-cyclopropylthieno[3,2-d]pyrimidine?
The canonical SMILES for 7-cyclopropylthieno[3,2-d]pyrimidine is c1ncc2scc(C3CC3)c2n1.
What is the InChIKey of 7-cyclopropylthieno[3,2-d]pyrimidine?
The InChIKey is IBEDLXDVECNGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-2-6(1)7-4-12-8-3-10-5-11-9(7)8/h3-6H,1-2H2.
What are the key properties of 7-cyclopropylthieno[3,2-d]pyrimidine?
7-cyclopropylthieno[3,2-d]pyrimidine has a molecular weight of 176.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 174703681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).