4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine

C10H13N5S — CID 66758410

IUPAC4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine
SMILESNC1CN(c2ncc3ccsc3n2)CCN1
InChIInChI=1S/C10H13N5S/c11-8-6-15(3-2-12-8)10-13-5-7-1-4-16-9(7)14-10/h1,4-5,8,12H,2-3,6,11H2
InChIKeyPILFPZMUDJMYMY-UHFFFAOYSA-N
MW235.32 g/mol
LogP0.39
Rot. Bonds1

About 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine

4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine (PubChem CID 66758410) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine.

Molecular Properties

Compound Name4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine
PubChem CID66758410
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine
SMILESNC1CN(c2ncc3ccsc3n2)CCN1
InChIInChI=1S/C10H13N5S/c11-8-6-15(3-2-12-8)10-13-5-7-1-4-16-9(7)14-10/h1,4-5,8,12H,2-3,6,11H2
InChIKeyPILFPZMUDJMYMY-UHFFFAOYSA-N
XLogP0.39
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine?
The IUPAC name of 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine (CID 66758410) is 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine.
What is the SMILES notation for 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine?
The canonical SMILES for 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine is NC1CN(c2ncc3ccsc3n2)CCN1.
What is the InChIKey of 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine?
The InChIKey is PILFPZMUDJMYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c11-8-6-15(3-2-12-8)10-13-5-7-1-4-16-9(7)14-10/h1,4-5,8,12H,2-3,6,11H2.
What are the key properties of 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine?
4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine has a molecular weight of 235.32 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thieno[2,3-d]pyrimidin-2-ylpiperazin-2-amine is sourced from PubChem (CID 66758410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).