2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide

C24H26N6O4 — CID 11518291

IUPAC2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C24H26N6O4/c1-3-11-29-19-13-18(27-22(19)23(32)30(12-4-2)24(29)33)16-5-7-17(8-6-16)34-15-21(31)28-20-14-25-9-10-26-20/h5-10,13-14,27H,3-4,11-12,15H2,1-2H3,(H,26,28,31)
InChIKeyMBZGASOFCVICPG-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.79
Rot. Bonds9

About 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide

2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide (PubChem CID 11518291) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide
PubChem CID11518291
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C24H26N6O4/c1-3-11-29-19-13-18(27-22(19)23(32)30(12-4-2)24(29)33)16-5-7-17(8-6-16)34-15-21(31)28-20-14-25-9-10-26-20/h5-10,13-14,27H,3-4,11-12,15H2,1-2H3,(H,26,28,31)
InChIKeyMBZGASOFCVICPG-UHFFFAOYSA-N
XLogP2.79
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide 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-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide (CID 11518291) is 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide is CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4cnccn4)cc3)cc2n(CCC)c1=O.
What is the InChIKey of 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide?
The InChIKey is MBZGASOFCVICPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-3-11-29-19-13-18(27-22(19)23(32)30(12-4-2)24(29)33)16-5-7-17(8-6-16)34-15-21(31)28-20-14-25-9-10-26-20/h5-10,13-14,27H,3-4,11-12,15H2,1-2H3,(H,26,28,31).
What are the key properties of 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide?
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide has a molecular weight of 462.51 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 11518291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).