[2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate

C23H21N4O5P — CID 18783733

IUPAC[2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate
SMILESNc1ncnc2pcn(COC(COC(=O)c3ccccc3)COC(=O)c3ccccc3)c12
InChIInChI=1S/C23H21N4O5P/c24-20-19-21(26-13-25-20)33-15-27(19)14-32-18(11-30-22(28)16-7-3-1-4-8-16)12-31-23(29)17-9-5-2-6-10-17/h1-10,13,15,18H,11-12,14H2,(H2,24,25,26)
InChIKeyYELGROLZOXPEIC-UHFFFAOYSA-N
MW464.42 g/mol
LogP3.65
Rot. Bonds9

About [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate

[2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate (PubChem CID 18783733) has the molecular formula C23H21N4O5P and a molecular weight of 464.42 g/mol. Its IUPAC name is [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate.

Molecular Properties

Compound Name[2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate
PubChem CID18783733
Molecular FormulaC23H21N4O5P
Molecular Weight464.42 g/mol
Exact Mass464.12
IUPAC Name[2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate
SMILESNc1ncnc2pcn(COC(COC(=O)c3ccccc3)COC(=O)c3ccccc3)c12
InChIInChI=1S/C23H21N4O5P/c24-20-19-21(26-13-25-20)33-15-27(19)14-32-18(11-30-22(28)16-7-3-1-4-8-16)12-31-23(29)17-9-5-2-6-10-17/h1-10,13,15,18H,11-12,14H2,(H2,24,25,26)
InChIKeyYELGROLZOXPEIC-UHFFFAOYSA-N
XLogP3.65
TPSA118.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate 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 [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate?
The IUPAC name of [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate (CID 18783733) is [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate.
What is the SMILES notation for [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate?
The canonical SMILES for [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate is Nc1ncnc2pcn(COC(COC(=O)c3ccccc3)COC(=O)c3ccccc3)c12.
What is the InChIKey of [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate?
The InChIKey is YELGROLZOXPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N4O5P/c24-20-19-21(26-13-25-20)33-15-27(19)14-32-18(11-30-22(28)16-7-3-1-4-8-16)12-31-23(29)17-9-5-2-6-10-17/h1-10,13,15,18H,11-12,14H2,(H2,24,25,26).
What are the key properties of [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate?
[2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate has a molecular weight of 464.42 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(7-amino-[1,3]azaphospholo[4,5-d]pyrimidin-1-yl)methoxy]-3-benzoyloxypropyl] benzoate is sourced from PubChem (CID 18783733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).