4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine

C15H16N4S — CID 56822117

IUPAC4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccn(C2CCN(c3ncnc4sccc34)CC2)c1
InChIInChI=1S/C15H16N4S/c1-2-7-18(6-1)12-3-8-19(9-4-12)14-13-5-10-20-15(13)17-11-16-14/h1-2,5-7,10-12H,3-4,8-9H2
InChIKeyARKHCIVPIUKESP-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.33
Rot. Bonds2

About 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine

4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 56822117) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID56822117
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1ccn(C2CCN(c3ncnc4sccc34)CC2)c1
InChIInChI=1S/C15H16N4S/c1-2-7-18(6-1)12-3-8-19(9-4-12)14-13-5-10-20-15(13)17-11-16-14/h1-2,5-7,10-12H,3-4,8-9H2
InChIKeyARKHCIVPIUKESP-UHFFFAOYSA-N
XLogP3.33
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 56822117) is 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine is c1ccn(C2CCN(c3ncnc4sccc34)CC2)c1.
What is the InChIKey of 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is ARKHCIVPIUKESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-2-7-18(6-1)12-3-8-19(9-4-12)14-13-5-10-20-15(13)17-11-16-14/h1-2,5-7,10-12H,3-4,8-9H2.
What are the key properties of 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 284.39 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrol-1-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 56822117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).