ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate

C23H28N4O5 — CID 42217419

IUPACethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate
SMILESCCCn1c(C(=O)N(CC(=O)OCC)Cc2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C23H28N4O5/c1-5-12-27-18(13-17-20(27)24(3)23(31)25(4)21(17)29)22(30)26(15-19(28)32-6-2)14-16-10-8-7-9-11-16/h7-11,13H,5-6,12,14-15H2,1-4H3
InChIKeySPGJNOZQAPLTKN-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.65
Rot. Bonds8

About ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate

ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate (PubChem CID 42217419) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate
PubChem CID42217419
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Nameethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate
SMILESCCCn1c(C(=O)N(CC(=O)OCC)Cc2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21
InChIInChI=1S/C23H28N4O5/c1-5-12-27-18(13-17-20(27)24(3)23(31)25(4)21(17)29)22(30)26(15-19(28)32-6-2)14-16-10-8-7-9-11-16/h7-11,13H,5-6,12,14-15H2,1-4H3
InChIKeySPGJNOZQAPLTKN-UHFFFAOYSA-N
XLogP1.65
TPSA95.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate with MolForge

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Related Compounds

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ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate (CID 42217419) is ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate is CCCn1c(C(=O)N(CC(=O)OCC)Cc2ccccc2)cc2c(=O)n(C)c(=O)n(C)c21.
What is the InChIKey of ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is SPGJNOZQAPLTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-5-12-27-18(13-17-20(27)24(3)23(31)25(4)21(17)29)22(30)26(15-19(28)32-6-2)14-16-10-8-7-9-11-16/h7-11,13H,5-6,12,14-15H2,1-4H3.
What are the key properties of ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate?
ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 440.50 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-(1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 42217419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).