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

C7H6Cl2N2S — CID 89487335

IUPAC2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCC1SCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H6Cl2N2S/c1-3-5-4(2-12-3)6(8)11-7(9)10-5/h3H,2H2,1H3
InChIKeyCELWEVMHFJQSAE-UHFFFAOYSA-N
MW221.11 g/mol
LogP3.09
Rot. Bonds

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

2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 89487335) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is 2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID89487335
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCC1SCc2c(Cl)nc(Cl)nc21
InChIInChI=1S/C7H6Cl2N2S/c1-3-5-4(2-12-3)6(8)11-7(9)10-5/h3H,2H2,1H3
InChIKeyCELWEVMHFJQSAE-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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Related Compounds

4-Chloro-5,7-dihydro-2-methylthieno(3,4-d)pyrimidine
CID 79796
2,4-Dichloro-6,7-dihydrothieno[3,2-d]pyrimidine
CID 45789967
2,4-dichloro-5H,6H,7H-cyclopenta(d)pyrimidine
CID 231331
2,4-Dichloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
CID 15895119
2,4-Dichloro-5,7-dihydrothieno[3,4-d]pyrimidine
CID 72207289
2,4-Dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 89487319
2,4-dichloro-5H,7H-6lambda6-thieno(3,4-d)pyrimidine-6,6-dione
CID 89487453
2,4-dichloro-6H,7H-5lambda6-thieno(3,2-d)pyrimidine-5,5-dione
CID 112756466
4-Chloro-2-(methylthio)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 231640
4-Chloro-2-ethyl-6,7-dihydrothieno[3,2-d]pyrimidine
CID 15055735
2,4-Dichloro-6-ethyl-5-methylpyrimidine
CID 18921712
4-Chloro-6,7-dihydrothieno[3,2-d]pyrimidine
CID 53745646

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 89487335) is 2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine is CC1SCc2c(Cl)nc(Cl)nc21.
What is the InChIKey of 2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is CELWEVMHFJQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c1-3-5-4(2-12-3)6(8)11-7(9)10-5/h3H,2H2,1H3.
What are the key properties of 2,4-dichloro-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine?
2,4-dichloro-7-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-7-methyl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 89487335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).