4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine

C10H11ClN2S — CID 59686291

IUPAC4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2CCC2)nc2c1CSC2
InChIInChI=1S/C10H11ClN2S/c11-9-7-4-14-5-8(7)12-10(13-9)6-2-1-3-6/h6H,1-5H2
InChIKeyBQELCNSKEDBUPT-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.14
Rot. Bonds1

About 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine

4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 59686291) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID59686291
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2CCC2)nc2c1CSC2
InChIInChI=1S/C10H11ClN2S/c11-9-7-4-14-5-8(7)12-10(13-9)6-2-1-3-6/h6H,1-5H2
InChIKeyBQELCNSKEDBUPT-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 59686291) is 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine is Clc1nc(C2CCC2)nc2c1CSC2.
What is the InChIKey of 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is BQELCNSKEDBUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c11-9-7-4-14-5-8(7)12-10(13-9)6-2-1-3-6/h6H,1-5H2.
What are the key properties of 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 226.73 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclobutyl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 59686291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).