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

C15H20N4S — CID 63254204

IUPAC4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1nc(N2CCCCC2C2CCCN2)c2ccsc2n1
InChIInChI=1S/C15H20N4S/c1-2-8-19(13(5-1)12-4-3-7-16-12)14-11-6-9-20-15(11)18-10-17-14/h6,9-10,12-13,16H,1-5,7-8H2
InChIKeyBTDRASBPVCQKNU-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.80
Rot. Bonds2

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

4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 63254204) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID63254204
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine
SMILESc1nc(N2CCCCC2C2CCCN2)c2ccsc2n1
InChIInChI=1S/C15H20N4S/c1-2-8-19(13(5-1)12-4-3-7-16-12)14-11-6-9-20-15(11)18-10-17-14/h6,9-10,12-13,16H,1-5,7-8H2
InChIKeyBTDRASBPVCQKNU-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine (CID 63254204) is 4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine is c1nc(N2CCCCC2C2CCCN2)c2ccsc2n1.
What is the InChIKey of 4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is BTDRASBPVCQKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-2-8-19(13(5-1)12-4-3-7-16-12)14-11-6-9-20-15(11)18-10-17-14/h6,9-10,12-13,16H,1-5,7-8H2.
What are the key properties of 4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine?
4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 288.42 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-2-ylpiperidin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 63254204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).