5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one

C20H22N4O2 — CID 20932007

IUPAC5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CC(=O)N3CCCC3)c(=O)c12
InChIInChI=1S/C20H22N4O2/c1-14-15(2)24(16-8-4-3-5-9-16)19-18(14)20(26)23(13-21-19)12-17(25)22-10-6-7-11-22/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKeyYPWRVBGLWAAHJW-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.43
Rot. Bonds3

About 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 20932007) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
PubChem CID20932007
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1c(C)n(-c2ccccc2)c2ncn(CC(=O)N3CCCC3)c(=O)c12
InChIInChI=1S/C20H22N4O2/c1-14-15(2)24(16-8-4-3-5-9-16)19-18(14)20(26)23(13-21-19)12-17(25)22-10-6-7-11-22/h3-5,8-9,13H,6-7,10-12H2,1-2H3
InChIKeyYPWRVBGLWAAHJW-UHFFFAOYSA-N
XLogP2.43
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6-dimethyl-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 20932001
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-propylacetamide
CID 20932013
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-fluorophenyl)acetamide
CID 20931996
1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one
CID 122149405
5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7889105
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 20932054
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-propan-2-ylacetamide
CID 20932113
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
N-cyclohexyl-2-[5,6-dimethyl-7-(4-methylphenyl)-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]acetamide
CID 20932087
7-(3-fluorophenyl)-5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 46324101
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 20932051
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-cycloheptylacetamide
CID 20932106

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one (CID 20932007) is 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one is Cc1c(C)n(-c2ccccc2)c2ncn(CC(=O)N3CCCC3)c(=O)c12.
What is the InChIKey of 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is YPWRVBGLWAAHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14-15(2)24(16-8-4-3-5-9-16)19-18(14)20(26)23(13-21-19)12-17(25)22-10-6-7-11-22/h3-5,8-9,13H,6-7,10-12H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 20932007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).