N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine

C24H25N4O2PS — CID 89451865

IUPACN-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESC=CPOc1cccc(Nc2ncnc3cc(-c4ccc(CN5CCCCC5)o4)sc23)c1
InChIInChI=1S/C24H25N4O2PS/c1-2-31-30-18-8-6-7-17(13-18)27-24-23-20(25-16-26-24)14-22(32-23)21-10-9-19(29-21)15-28-11-4-3-5-12-28/h2,6-10,13-14,16,31H,1,3-5,11-12,15H2,(H,25,26,27)
InChIKeyDPQLJIKUFIIIKZ-UHFFFAOYSA-N
MW464.53 g/mol
LogP6.80
Rot. Bonds8

About N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine

N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 89451865) has the molecular formula C24H25N4O2PS and a molecular weight of 464.53 g/mol. Its IUPAC name is N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID89451865
Molecular FormulaC24H25N4O2PS
Molecular Weight464.53 g/mol
Exact Mass464.14
IUPAC NameN-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine
SMILESC=CPOc1cccc(Nc2ncnc3cc(-c4ccc(CN5CCCCC5)o4)sc23)c1
InChIInChI=1S/C24H25N4O2PS/c1-2-31-30-18-8-6-7-17(13-18)27-24-23-20(25-16-26-24)14-22(32-23)21-10-9-19(29-21)15-28-11-4-3-5-12-28/h2,6-10,13-14,16,31H,1,3-5,11-12,15H2,(H,25,26,27)
InChIKeyDPQLJIKUFIIIKZ-UHFFFAOYSA-N
XLogP6.80
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine (CID 89451865) is N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine is C=CPOc1cccc(Nc2ncnc3cc(-c4ccc(CN5CCCCC5)o4)sc23)c1.
What is the InChIKey of N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DPQLJIKUFIIIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N4O2PS/c1-2-31-30-18-8-6-7-17(13-18)27-24-23-20(25-16-26-24)14-22(32-23)21-10-9-19(29-21)15-28-11-4-3-5-12-28/h2,6-10,13-14,16,31H,1,3-5,11-12,15H2,(H,25,26,27).
What are the key properties of N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine?
N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 464.53 g/mol, XLogP of 6.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenylphosphanyloxyphenyl)-6-[5-(piperidin-1-ylmethyl)furan-2-yl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 89451865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).