2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine

C7H6Cl2N2S — CID 89487293

IUPAC2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCC1SCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C7H6Cl2N2S/c1-3-5-4(2-12-3)10-7(9)11-6(5)8/h3H,2H2,1H3
InChIKeyQYPYZSRTCKTHKP-UHFFFAOYSA-N
MW221.11 g/mol
LogP3.09
Rot. Bonds

About 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine

2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 89487293) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID89487293
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCC1SCc2nc(Cl)nc(Cl)c21
InChIInChI=1S/C7H6Cl2N2S/c1-3-5-4(2-12-3)10-7(9)11-6(5)8/h3H,2H2,1H3
InChIKeyQYPYZSRTCKTHKP-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 89487293) is 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine is CC1SCc2nc(Cl)nc(Cl)c21.
What is the InChIKey of 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is QYPYZSRTCKTHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c1-3-5-4(2-12-3)10-7(9)11-6(5)8/h3H,2H2,1H3.
What are the key properties of 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 221.11 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 89487293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).