6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C20H23N3O3 — CID 101231999

IUPAC6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(C(C)=O)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C20H23N3O3/c1-4-10-22-17-12-16(15-8-6-14(7-9-15)13(3)24)21-18(17)19(25)23(11-5-2)20(22)26/h6-9,12,21H,4-5,10-11H2,1-3H3
InChIKeyIWYKINOZGNEBGA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.18
Rot. Bonds6

About 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 101231999) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID101231999
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCn1c(=O)c2[nH]c(-c3ccc(C(C)=O)cc3)cc2n(CCC)c1=O
InChIInChI=1S/C20H23N3O3/c1-4-10-22-17-12-16(15-8-6-14(7-9-15)13(3)24)21-18(17)19(25)23(11-5-2)20(22)26/h6-9,12,21H,4-5,10-11H2,1-3H3
InChIKeyIWYKINOZGNEBGA-UHFFFAOYSA-N
XLogP3.18
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 101231999) is 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCn1c(=O)c2[nH]c(-c3ccc(C(C)=O)cc3)cc2n(CCC)c1=O.
What is the InChIKey of 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is IWYKINOZGNEBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-10-22-17-12-16(15-8-6-14(7-9-15)13(3)24)21-18(17)19(25)23(11-5-2)20(22)26/h6-9,12,21H,4-5,10-11H2,1-3H3.
What are the key properties of 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 101231999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).