6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C13H11N3O2 — CID 135836115

IUPAC6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2cc3c(=O)[nH]cnc3[nH]2)c1
InChIInChI=1S/C13H11N3O2/c1-18-9-4-2-3-8(5-9)11-6-10-12(16-11)14-7-15-13(10)17/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyAWTJSTYWTOXEAB-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds2

About 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135836115) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135836115
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2cc3c(=O)[nH]cnc3[nH]2)c1
InChIInChI=1S/C13H11N3O2/c1-18-9-4-2-3-8(5-9)11-6-10-12(16-11)14-7-15-13(10)17/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyAWTJSTYWTOXEAB-UHFFFAOYSA-N
XLogP1.93
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxyphenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692138
3-(3-methoxyphenyl)-5-methyl-2H-isoquinolin-1-one
CID 142740971
2-(3-methoxyphenyl)-7-methyl-1H-1,8-naphthyridin-4-one
CID 5468698
ethane;6-(3-methoxyphenyl)-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080945
6-(3-methoxyphenyl)-4-phenyl-1H-pyridin-2-one
CID 10062054
4-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135518067
3-[4-(3-methoxyphenoxy)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]aniline
CID 46855835
7-(3-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135856872
N-benzyl-6-(3-methoxyphenyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 171513273
2-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 71448856
5-(3-methoxyphenyl)-1H-imidazol-4-amine
CID 82468693
3-(3-methoxyphenyl)-6-methyl-1H-pyrazin-2-one
CID 125458438

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135836115) is 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is COc1cccc(-c2cc3c(=O)[nH]cnc3[nH]2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is AWTJSTYWTOXEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-9-4-2-3-8(5-9)11-6-10-12(16-11)14-7-15-13(10)17/h2-7H,1H3,(H2,14,15,16,17).
What are the key properties of 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 241.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135836115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).