2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

C18H20N4O2 — CID 140535229

IUPAC2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESCOc1ccccc1CC1CCCN1c1ncc2c(n1)C(=O)NC2
InChIInChI=1S/C18H20N4O2/c1-24-15-7-3-2-5-12(15)9-14-6-4-8-22(14)18-20-11-13-10-19-17(23)16(13)21-18/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,19,23)
InChIKeyMQZBYKJBOGKNAM-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.94
Rot. Bonds4

About 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one

2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (PubChem CID 140535229) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
PubChem CID140535229
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
SMILESCOc1ccccc1CC1CCCN1c1ncc2c(n1)C(=O)NC2
InChIInChI=1S/C18H20N4O2/c1-24-15-7-3-2-5-12(15)9-14-6-4-8-22(14)18-20-11-13-10-19-17(23)16(13)21-18/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,19,23)
InChIKeyMQZBYKJBOGKNAM-UHFFFAOYSA-N
XLogP1.94
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-1H-benzimidazole
CID 133409910
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
4-imidazol-1-yl-6-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]pyrimidine
CID 75373069
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 95151432
[1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 103279221
2-[(2-methoxyphenyl)methyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 136579692
2-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055471
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119182996
6-[2-[(2-methoxyphenyl)methyl]piperidin-1-yl]-4-N-methylpyrimidine-2,4-diamine
CID 122456389
2-amino-3-methoxy-1-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 120987971

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one (CID 140535229) is 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is COc1ccccc1CC1CCCN1c1ncc2c(n1)C(=O)NC2.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
The InChIKey is MQZBYKJBOGKNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-15-7-3-2-5-12(15)9-14-6-4-8-22(14)18-20-11-13-10-19-17(23)16(13)21-18/h2-3,5,7,11,14H,4,6,8-10H2,1H3,(H,19,23).
What are the key properties of 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one?
2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one has a molecular weight of 324.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one is sourced from PubChem (CID 140535229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).