4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine

C18H21N5OS — CID 46231853

IUPAC4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCN(CCOc3ccccc3)CC2)c2ccsc2n1
InChIInChI=1S/C18H21N5OS/c19-18-20-16(15-6-13-25-17(15)21-18)23-9-7-22(8-10-23)11-12-24-14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H2,19,20,21)
InChIKeyRIFBABMLVJAMEE-UHFFFAOYSA-N
MW355.47 g/mol
LogP2.47
Rot. Bonds5

About 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine

4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 46231853) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID46231853
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC Name4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCN(CCOc3ccccc3)CC2)c2ccsc2n1
InChIInChI=1S/C18H21N5OS/c19-18-20-16(15-6-13-25-17(15)21-18)23-9-7-22(8-10-23)11-12-24-14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H2,19,20,21)
InChIKeyRIFBABMLVJAMEE-UHFFFAOYSA-N
XLogP2.47
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine (CID 46231853) is 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine is Nc1nc(N2CCN(CCOc3ccccc3)CC2)c2ccsc2n1.
What is the InChIKey of 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is RIFBABMLVJAMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c19-18-20-16(15-6-13-25-17(15)21-18)23-9-7-22(8-10-23)11-12-24-14-4-2-1-3-5-14/h1-6,13H,7-12H2,(H2,19,20,21).
What are the key properties of 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine?
4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 355.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenoxyethyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 46231853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).