4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine

C15H19N3OS — CID 136534406

IUPAC4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1nc(N2CCC(C3CCCO3)CC2)c2sccc2n1
InChIInChI=1S/C15H19N3OS/c1-2-13(19-8-1)11-3-6-18(7-4-11)15-14-12(5-9-20-14)16-10-17-15/h5,9-11,13H,1-4,6-8H2
InChIKeyNUWLVVPGNKXNPJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.09
Rot. Bonds2

About 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine

4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 136534406) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID136534406
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine
SMILESc1nc(N2CCC(C3CCCO3)CC2)c2sccc2n1
InChIInChI=1S/C15H19N3OS/c1-2-13(19-8-1)11-3-6-18(7-4-11)15-14-12(5-9-20-14)16-10-17-15/h5,9-11,13H,1-4,6-8H2
InChIKeyNUWLVVPGNKXNPJ-UHFFFAOYSA-N
XLogP3.09
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine (CID 136534406) is 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine is c1nc(N2CCC(C3CCCO3)CC2)c2sccc2n1.
What is the InChIKey of 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is NUWLVVPGNKXNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-13(19-8-1)11-3-6-18(7-4-11)15-14-12(5-9-20-14)16-10-17-15/h5,9-11,13H,1-4,6-8H2.
What are the key properties of 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 289.40 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-2-yl)piperidin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 136534406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).