N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine

C23H24N6S — CID 164624174

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCCN1CCN(c2ccc(Nc3ncc4scc(-c5cccnc5)c4n3)cc2)CC1
InChIInChI=1S/C23H24N6S/c1-2-28-10-12-29(13-11-28)19-7-5-18(6-8-19)26-23-25-15-21-22(27-23)20(16-30-21)17-4-3-9-24-14-17/h3-9,14-16H,2,10-13H2,1H3,(H,25,26,27)
InChIKeyLTPWAFBSYSOSLO-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.64
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine

N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine (PubChem CID 164624174) has the molecular formula C23H24N6S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine
PubChem CID164624174
Molecular FormulaC23H24N6S
Molecular Weight416.55 g/mol
Exact Mass416.18
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine
SMILESCCN1CCN(c2ccc(Nc3ncc4scc(-c5cccnc5)c4n3)cc2)CC1
InChIInChI=1S/C23H24N6S/c1-2-28-10-12-29(13-11-28)19-7-5-18(6-8-19)26-23-25-15-21-22(27-23)20(16-30-21)17-4-3-9-24-14-17/h3-9,14-16H,2,10-13H2,1H3,(H,25,26,27)
InChIKeyLTPWAFBSYSOSLO-UHFFFAOYSA-N
XLogP4.64
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine (CID 164624174) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine is CCN1CCN(c2ccc(Nc3ncc4scc(-c5cccnc5)c4n3)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine?
The InChIKey is LTPWAFBSYSOSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6S/c1-2-28-10-12-29(13-11-28)19-7-5-18(6-8-19)26-23-25-15-21-22(27-23)20(16-30-21)17-4-3-9-24-14-17/h3-9,14-16H,2,10-13H2,1H3,(H,25,26,27).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine has a molecular weight of 416.55 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-pyridin-3-ylthieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 164624174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).