6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine

C15H21N3S — CID 2809060

IUPAC6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCC(C)(C)c1cc2ncnc(N3CCCCC3)c2s1
InChIInChI=1S/C15H21N3S/c1-15(2,3)12-9-11-13(19-12)14(17-10-16-11)18-7-5-4-6-8-18/h9-10H,4-8H2,1-3H3
InChIKeyDSNNQOCJABHCJV-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.98
Rot. Bonds1

About 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine

6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine (PubChem CID 2809060) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine
PubChem CID2809060
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine
SMILESCC(C)(C)c1cc2ncnc(N3CCCCC3)c2s1
InChIInChI=1S/C15H21N3S/c1-15(2,3)12-9-11-13(19-12)14(17-10-16-11)18-7-5-4-6-8-18/h9-10H,4-8H2,1-3H3
InChIKeyDSNNQOCJABHCJV-UHFFFAOYSA-N
XLogP3.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine (CID 2809060) is 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine is CC(C)(C)c1cc2ncnc(N3CCCCC3)c2s1.
What is the InChIKey of 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine?
The InChIKey is DSNNQOCJABHCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-15(2,3)12-9-11-13(19-12)14(17-10-16-11)18-7-5-4-6-8-18/h9-10H,4-8H2,1-3H3.
What are the key properties of 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine?
6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine has a molecular weight of 275.42 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 2809060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).