2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine

C13H19N5S — CID 70537326

IUPAC2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCc1cc2c(N)nc(N3CCNCC3)nc2s1
InChIInChI=1S/C13H19N5S/c1-2-3-9-8-10-11(14)16-13(17-12(10)19-9)18-6-4-15-5-7-18/h8,15H,2-7H2,1H3,(H2,14,16,17)
InChIKeyTZAAWGFAFGGEFN-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.64
Rot. Bonds3

About 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine

2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 70537326) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID70537326
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCc1cc2c(N)nc(N3CCNCC3)nc2s1
InChIInChI=1S/C13H19N5S/c1-2-3-9-8-10-11(14)16-13(17-12(10)19-9)18-6-4-15-5-7-18/h8,15H,2-7H2,1H3,(H2,14,16,17)
InChIKeyTZAAWGFAFGGEFN-UHFFFAOYSA-N
XLogP1.64
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine (CID 70537326) is 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine is CCCc1cc2c(N)nc(N3CCNCC3)nc2s1.
What is the InChIKey of 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is TZAAWGFAFGGEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-2-3-9-8-10-11(14)16-13(17-12(10)19-9)18-6-4-15-5-7-18/h8,15H,2-7H2,1H3,(H2,14,16,17).
What are the key properties of 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine?
2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-6-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70537326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).