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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Related Compounds

N-benzyl-2-[4-(3-methyl-2,4-dioxo-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
CID 11517958
3-methyl-8-(2-propoxyphenyl)-6-propyl-9H-[1,2,4]triazolo[3,4-f]purin-5-one
CID 135788365
6-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-3-methyl-1-propyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 68894632
N-(1-benzylpiperidin-4-yl)-N-methyl-4-(3-methyl-2,4-dioxo-1-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)benzenesulfonamide
CID 68896947
6-[4-(dimethylamino)phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 101232007
2-[4-(1-methyl-2,4-dioxo-3-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetic acid
CID 11595592
methyl [2-oxo-6-(2-propoxyphenyl)-1H-pyridin-3-yl] carbonate
CID 23167499
6-(4-acetylphenyl)-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 101231999
3-(chloromethyl)-1-methyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518755
3-benzyl-7-propoxy-1H-benzimidazol-2-one
CID 91806779
2-[4-(1-methyl-2,4-dioxo-3-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-phenylacetamide
CID 11561073
2-(carbamoylamino)-5-(2-propoxyphenyl)-1H-pyrrole-3-carboxamide
CID 25007212

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).