7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine

C20H21N3OS2 — CID 123894045

IUPAC7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine
SMILESc1nc(OC2CCNCC2)c2scc(-c3ccc(SC4CC4)cc3)c2n1
InChIInChI=1S/C20H21N3OS2/c1-3-15(26-16-5-6-16)4-2-13(1)17-11-25-19-18(17)22-12-23-20(19)24-14-7-9-21-10-8-14/h1-4,11-12,14,16,21H,5-10H2
InChIKeyDEHYKTBSJGTYJW-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.74
Rot. Bonds5

About 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine

7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine (PubChem CID 123894045) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine
PubChem CID123894045
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC Name7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine
SMILESc1nc(OC2CCNCC2)c2scc(-c3ccc(SC4CC4)cc3)c2n1
InChIInChI=1S/C20H21N3OS2/c1-3-15(26-16-5-6-16)4-2-13(1)17-11-25-19-18(17)22-12-23-20(19)24-14-7-9-21-10-8-14/h1-4,11-12,14,16,21H,5-10H2
InChIKeyDEHYKTBSJGTYJW-UHFFFAOYSA-N
XLogP4.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine?
The IUPAC name of 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine (CID 123894045) is 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine.
What is the SMILES notation for 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine?
The canonical SMILES for 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine is c1nc(OC2CCNCC2)c2scc(-c3ccc(SC4CC4)cc3)c2n1.
What is the InChIKey of 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine?
The InChIKey is DEHYKTBSJGTYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-3-15(26-16-5-6-16)4-2-13(1)17-11-25-19-18(17)22-12-23-20(19)24-14-7-9-21-10-8-14/h1-4,11-12,14,16,21H,5-10H2.
What are the key properties of 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine?
7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine has a molecular weight of 383.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-cyclopropylsulfanylphenyl)-4-piperidin-4-yloxythieno[3,2-d]pyrimidine is sourced from PubChem (CID 123894045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).