N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine

C26H25N7S — CID 52931947

IUPACN-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCCN1CCN(c2ccc(Nc3ncc4scc(-c5cnc6ccccc6c5)c4n3)cn2)CC1
InChIInChI=1S/C26H25N7S/c1-2-32-9-11-33(12-10-32)24-8-7-20(15-28-24)30-26-29-16-23-25(31-26)21(17-34-23)19-13-18-5-3-4-6-22(18)27-14-19/h3-8,13-17H,2,9-12H2,1H3,(H,29,30,31)
InChIKeySDTADUMAKLZAQC-UHFFFAOYSA-N
MW467.60 g/mol
LogP5.19
Rot. Bonds5

About N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine

N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 52931947) has the molecular formula C26H25N7S and a molecular weight of 467.60 g/mol. Its IUPAC name is N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine
PubChem CID52931947
Molecular FormulaC26H25N7S
Molecular Weight467.60 g/mol
Exact Mass467.19
IUPAC NameN-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCCN1CCN(c2ccc(Nc3ncc4scc(-c5cnc6ccccc6c5)c4n3)cn2)CC1
InChIInChI=1S/C26H25N7S/c1-2-32-9-11-33(12-10-32)24-8-7-20(15-28-24)30-26-29-16-23-25(31-26)21(17-34-23)19-13-18-5-3-4-6-22(18)27-14-19/h3-8,13-17H,2,9-12H2,1H3,(H,29,30,31)
InChIKeySDTADUMAKLZAQC-UHFFFAOYSA-N
XLogP5.19
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.60
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine (CID 52931947) is N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine is CCN1CCN(c2ccc(Nc3ncc4scc(-c5cnc6ccccc6c5)c4n3)cn2)CC1.
What is the InChIKey of N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is SDTADUMAKLZAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7S/c1-2-32-9-11-33(12-10-32)24-8-7-20(15-28-24)30-26-29-16-23-25(31-26)21(17-34-23)19-13-18-5-3-4-6-22(18)27-14-19/h3-8,13-17H,2,9-12H2,1H3,(H,29,30,31).
What are the key properties of N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine?
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 467.60 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-7-quinolin-3-ylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 52931947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).