4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine

C11H14N2OS — CID 126954439

IUPAC4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine
SMILESc1nc(OC2CCSC2)cc(C2CC2)n1
InChIInChI=1S/C11H14N2OS/c1-2-8(1)10-5-11(13-7-12-10)14-9-3-4-15-6-9/h5,7-9H,1-4,6H2
InChIKeySWLWWSFSWVMENY-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.24
Rot. Bonds3

About 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine

4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine (PubChem CID 126954439) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine
PubChem CID126954439
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine
SMILESc1nc(OC2CCSC2)cc(C2CC2)n1
InChIInChI=1S/C11H14N2OS/c1-2-8(1)10-5-11(13-7-12-10)14-9-3-4-15-6-9/h5,7-9H,1-4,6H2
InChIKeySWLWWSFSWVMENY-UHFFFAOYSA-N
XLogP2.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine?
The IUPAC name of 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine (CID 126954439) is 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine is c1nc(OC2CCSC2)cc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine?
The InChIKey is SWLWWSFSWVMENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-2-8(1)10-5-11(13-7-12-10)14-9-3-4-15-6-9/h5,7-9H,1-4,6H2.
What are the key properties of 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine?
4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine has a molecular weight of 222.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(thiolan-3-yloxy)pyrimidine is sourced from PubChem (CID 126954439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).