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

C7H5ClN2S — CID 22674459

IUPAC4-chloro-2-methylthieno[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2sccc2n1
InChIInChI=1S/C7H5ClN2S/c1-4-9-5-2-3-11-6(5)7(8)10-4/h2-3H,1H3
InChIKeyOSAOHHSXWALXET-UHFFFAOYSA-N
MW184.65 g/mol
LogP2.65
Rot. Bonds

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

4-chloro-2-methylthieno[3,2-d]pyrimidine (PubChem CID 22674459) has the molecular formula C7H5ClN2S and a molecular weight of 184.65 g/mol. Its IUPAC name is 4-chloro-2-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylthieno[3,2-d]pyrimidine
PubChem CID22674459
Molecular FormulaC7H5ClN2S
Molecular Weight184.65 g/mol
Exact Mass183.99
IUPAC Name4-chloro-2-methylthieno[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2sccc2n1
InChIInChI=1S/C7H5ClN2S/c1-4-9-5-2-3-11-6(5)7(8)10-4/h2-3H,1H3
InChIKeyOSAOHHSXWALXET-UHFFFAOYSA-N
XLogP2.65
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-methylthieno[3,2-d]pyrimidine (CID 22674459) is 4-chloro-2-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-methylthieno[3,2-d]pyrimidine is Cc1nc(Cl)c2sccc2n1.
What is the InChIKey of 4-chloro-2-methylthieno[3,2-d]pyrimidine?
The InChIKey is OSAOHHSXWALXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S/c1-4-9-5-2-3-11-6(5)7(8)10-4/h2-3H,1H3.
What are the key properties of 4-chloro-2-methylthieno[3,2-d]pyrimidine?
4-chloro-2-methylthieno[3,2-d]pyrimidine has a molecular weight of 184.65 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 22674459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).