2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine

C13H15ClN2OS — CID 112750171

IUPAC2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine
SMILESCC1CCCCC1Oc1nc(Cl)nc2ccsc12
InChIInChI=1S/C13H15ClN2OS/c1-8-4-2-3-5-10(8)17-12-11-9(6-7-18-11)15-13(14)16-12/h6-8,10H,2-5H2,1H3
InChIKeyOUBYDZXJEUDVCE-UHFFFAOYSA-N
MW282.80 g/mol
LogP4.30
Rot. Bonds2

About 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine

2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine (PubChem CID 112750171) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine
PubChem CID112750171
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine
SMILESCC1CCCCC1Oc1nc(Cl)nc2ccsc12
InChIInChI=1S/C13H15ClN2OS/c1-8-4-2-3-5-10(8)17-12-11-9(6-7-18-11)15-13(14)16-12/h6-8,10H,2-5H2,1H3
InChIKeyOUBYDZXJEUDVCE-UHFFFAOYSA-N
XLogP4.30
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine (CID 112750171) is 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine is CC1CCCCC1Oc1nc(Cl)nc2ccsc12.
What is the InChIKey of 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine?
The InChIKey is OUBYDZXJEUDVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c1-8-4-2-3-5-10(8)17-12-11-9(6-7-18-11)15-13(14)16-12/h6-8,10H,2-5H2,1H3.
What are the key properties of 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine?
2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine has a molecular weight of 282.80 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylcyclohexyl)oxythieno[3,2-d]pyrimidine is sourced from PubChem (CID 112750171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).