1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione

C18H26N6O3 — CID 120995731

IUPAC1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccn(CC(=O)N3CCC(N4CCNCC4)C3)c2n(C)c1=O
InChIInChI=1S/C18H26N6O3/c1-20-16-14(17(26)21(2)18(20)27)4-8-24(16)12-15(25)23-7-3-13(11-23)22-9-5-19-6-10-22/h4,8,13,19H,3,5-7,9-12H2,1-2H3
InChIKeyBAJAYDGKBPPCAL-UHFFFAOYSA-N
MW374.45 g/mol
LogP-1.46
Rot. Bonds3

About 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 120995731) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID120995731
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccn(CC(=O)N3CCC(N4CCNCC4)C3)c2n(C)c1=O
InChIInChI=1S/C18H26N6O3/c1-20-16-14(17(26)21(2)18(20)27)4-8-24(16)12-15(25)23-7-3-13(11-23)22-9-5-19-6-10-22/h4,8,13,19H,3,5-7,9-12H2,1-2H3
InChIKeyBAJAYDGKBPPCAL-UHFFFAOYSA-N
XLogP-1.46
TPSA84.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyridin-2-one
CID 120994925
7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 53111900
1-methyl-3-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]benzimidazol-2-one;hydrochloride
CID 120995124
10-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]acridin-9-one;hydrochloride
CID 120996346
N-cyclohexyl-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111836
5,6-dimethyl-3-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 120997100
2-(4-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995454
4-methyl-4-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 120994951
3-methyl-7-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-1,3-benzoxazol-2-one
CID 120997883
3-methyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one;hydrochloride
CID 120995440
1-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-3-methylpyrimidine-2,4-dione
CID 62917794
2-(2-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996651

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione (CID 120995731) is 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccn(CC(=O)N3CCC(N4CCNCC4)C3)c2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BAJAYDGKBPPCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-20-16-14(17(26)21(2)18(20)27)4-8-24(16)12-15(25)23-7-3-13(11-23)22-9-5-19-6-10-22/h4,8,13,19H,3,5-7,9-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 374.45 g/mol, XLogP of -1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]pyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 120995731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).