4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine

C8H7ClN2S — CID 86614953

IUPAC4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2scc(C)c2n1
InChIInChI=1S/C8H7ClN2S/c1-4-3-12-7-6(4)10-5(2)11-8(7)9/h3H,1-2H3
InChIKeyGSCMNIAJXVDGKZ-UHFFFAOYSA-N
MW198.68 g/mol
LogP2.96
Rot. Bonds

About 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine

4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine (PubChem CID 86614953) has the molecular formula C8H7ClN2S and a molecular weight of 198.68 g/mol. Its IUPAC name is 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine
PubChem CID86614953
Molecular FormulaC8H7ClN2S
Molecular Weight198.68 g/mol
Exact Mass198.00
IUPAC Name4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2scc(C)c2n1
InChIInChI=1S/C8H7ClN2S/c1-4-3-12-7-6(4)10-5(2)11-8(7)9/h3H,1-2H3
InChIKeyGSCMNIAJXVDGKZ-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine (CID 86614953) is 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine is Cc1nc(Cl)c2scc(C)c2n1.
What is the InChIKey of 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine?
The InChIKey is GSCMNIAJXVDGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2S/c1-4-3-12-7-6(4)10-5(2)11-8(7)9/h3H,1-2H3.
What are the key properties of 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine?
4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine has a molecular weight of 198.68 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 86614953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).