7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione

C24H31N5O3 — CID 53111790

IUPAC7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2ccn(CC(=O)N3CCN(c4cccc(C)c4C)CC3)c2n(CC)c1=O
InChIInChI=1S/C24H31N5O3/c1-5-28-22-19(23(31)29(6-2)24(28)32)10-11-27(22)16-21(30)26-14-12-25(13-15-26)20-9-7-8-17(3)18(20)4/h7-11H,5-6,12-16H2,1-4H3
InChIKeyVUAWIZDFFGVQJN-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.97
Rot. Bonds5

About 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione

7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 53111790) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID53111790
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2ccn(CC(=O)N3CCN(c4cccc(C)c4C)CC3)c2n(CC)c1=O
InChIInChI=1S/C24H31N5O3/c1-5-28-22-19(23(31)29(6-2)24(28)32)10-11-27(22)16-21(30)26-14-12-25(13-15-26)20-9-7-8-17(3)18(20)4/h7-11H,5-6,12-16H2,1-4H3
InChIKeyVUAWIZDFFGVQJN-UHFFFAOYSA-N
XLogP1.97
TPSA72.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 46056295
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 26736777
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 4910274
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 108996074
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 4188285
1-(4-acetylpiperazin-1-yl)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propane-1,3-dione
CID 108944891
2-amino-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119828409
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,7-dimethylpurine-2,6-dione
CID 26797055
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropanenitrile;hydrochloride
CID 108814619

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione (CID 53111790) is 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)c2ccn(CC(=O)N3CCN(c4cccc(C)c4C)CC3)c2n(CC)c1=O.
What is the InChIKey of 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is VUAWIZDFFGVQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-5-28-22-19(23(31)29(6-2)24(28)32)10-11-27(22)16-21(30)26-14-12-25(13-15-26)20-9-7-8-17(3)18(20)4/h7-11H,5-6,12-16H2,1-4H3.
What are the key properties of 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 437.54 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53111790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).