6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one

C25H28N4O3 — CID 71529562

IUPAC6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(N2Cc3cnc(-c4ccccc4)nc3C2=O)cc1OC
InChIInChI=1S/C25H28N4O3/c1-4-28(5-2)13-14-32-21-12-11-20(15-22(21)31-3)29-17-19-16-26-24(27-23(19)25(29)30)18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14,17H2,1-3H3
InChIKeyMGYQMAMYGNRTKC-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.03
Rot. Bonds9

About 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one

6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 71529562) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
PubChem CID71529562
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(N2Cc3cnc(-c4ccccc4)nc3C2=O)cc1OC
InChIInChI=1S/C25H28N4O3/c1-4-28(5-2)13-14-32-21-12-11-20(15-22(21)31-3)29-17-19-16-26-24(27-23(19)25(29)30)18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14,17H2,1-3H3
InChIKeyMGYQMAMYGNRTKC-UHFFFAOYSA-N
XLogP4.03
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one (CID 71529562) is 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(N2Cc3cnc(-c4ccccc4)nc3C2=O)cc1OC.
What is the InChIKey of 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is MGYQMAMYGNRTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-4-28(5-2)13-14-32-21-12-11-20(15-22(21)31-3)29-17-19-16-26-24(27-23(19)25(29)30)18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14,17H2,1-3H3.
What are the key properties of 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one?
6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 432.52 g/mol, XLogP of 4.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-2-phenyl-5H-pyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 71529562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).