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

C12H15ClN2S — CID 83190798

IUPAC4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2CCCCC2)nc2c1CSC2
InChIInChI=1S/C12H15ClN2S/c13-11-9-6-16-7-10(9)14-12(15-11)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyYYBNNZLAEZFKDB-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.92
Rot. Bonds1

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

4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine (PubChem CID 83190798) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine
PubChem CID83190798
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine
SMILESClc1nc(C2CCCCC2)nc2c1CSC2
InChIInChI=1S/C12H15ClN2S/c13-11-9-6-16-7-10(9)14-12(15-11)8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyYYBNNZLAEZFKDB-UHFFFAOYSA-N
XLogP3.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The IUPAC name of 4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine (CID 83190798) is 4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The canonical SMILES for 4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine is Clc1nc(C2CCCCC2)nc2c1CSC2.
What is the InChIKey of 4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine?
The InChIKey is YYBNNZLAEZFKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c13-11-9-6-16-7-10(9)14-12(15-11)8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine?
4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine has a molecular weight of 254.79 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclohexyl-5,7-dihydrothieno[3,4-d]pyrimidine is sourced from PubChem (CID 83190798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).