4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine

C11H15ClN2S — CID 83196343

IUPAC4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCC(C)CCc1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C11H15ClN2S/c1-7(2)3-4-10-13-9-6-15-5-8(9)11(12)14-10/h7H,3-6H2,1-2H3
InChIKeyFIXZDOLXXLEBRU-UHFFFAOYSA-N
MW242.77 g/mol
LogP3.47
Rot. Bonds3

About 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83196343) has the molecular formula C11H15ClN2S and a molecular weight of 242.77 g/mol. Its IUPAC name is 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83196343
Molecular FormulaC11H15ClN2S
Molecular Weight242.77 g/mol
Exact Mass242.06
IUPAC Name4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESCC(C)CCc1nc(Cl)c2c(n1)CSC2
InChIInChI=1S/C11H15ClN2S/c1-7(2)3-4-10-13-9-6-15-5-8(9)11(12)14-10/h7H,3-6H2,1-2H3
InChIKeyFIXZDOLXXLEBRU-UHFFFAOYSA-N
XLogP3.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83196343) is 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine is CC(C)CCc1nc(Cl)c2c(n1)CSC2.
What is the InChIKey of 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is FIXZDOLXXLEBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-7(2)3-4-10-13-9-6-15-5-8(9)11(12)14-10/h7H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 242.77 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-methylbutyl)-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83196343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).