3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

C19H23N3O3 — CID 22325515

IUPAC3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCOc1ccccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2CCC
InChIInChI=1S/C19H23N3O3/c1-4-10-22-15-12-14(20-17(15)18(23)21(3)19(22)24)13-8-6-7-9-16(13)25-11-5-2/h6-9,12,20H,4-5,10-11H2,1-3H3
InChIKeyRUHGCUNANYFJKU-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.89
Rot. Bonds6

About 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione

3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 22325515) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID22325515
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCCCOc1ccccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2CCC
InChIInChI=1S/C19H23N3O3/c1-4-10-22-15-12-14(20-17(15)18(23)21(3)19(22)24)13-8-6-7-9-16(13)25-11-5-2/h6-9,12,20H,4-5,10-11H2,1-3H3
InChIKeyRUHGCUNANYFJKU-UHFFFAOYSA-N
XLogP2.89
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione (CID 22325515) is 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is CCCOc1ccccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2CCC.
What is the InChIKey of 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is RUHGCUNANYFJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-4-10-22-15-12-14(20-17(15)18(23)21(3)19(22)24)13-8-6-7-9-16(13)25-11-5-2/h6-9,12,20H,4-5,10-11H2,1-3H3.
What are the key properties of 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione?
3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 341.41 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-propoxyphenyl)-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 22325515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).