3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione

C14H24N3O2+ — CID 7282554

IUPAC3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCC[NH+]1CCCC1
InChIInChI=1S/C14H23N3O2/c1-12-11-13(18)15(2)14(19)17(12)10-6-5-9-16-7-3-4-8-16/h11H,3-10H2,1-2H3/p+1
InChIKeyUWWZQCVMCYLHDM-UHFFFAOYSA-O
MW266.36 g/mol
LogP-0.69
Rot. Bonds5

About 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione

3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione (PubChem CID 7282554) has the molecular formula C14H24N3O2+ and a molecular weight of 266.36 g/mol. Its IUPAC name is 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione
PubChem CID7282554
Molecular FormulaC14H24N3O2+
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCC[NH+]1CCCC1
InChIInChI=1S/C14H23N3O2/c1-12-11-13(18)15(2)14(19)17(12)10-6-5-9-16-7-3-4-8-16/h11H,3-10H2,1-2H3/p+1
InChIKeyUWWZQCVMCYLHDM-UHFFFAOYSA-O
XLogP-0.69
TPSA48.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)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

3-sec-Butyl-6-methyluracil
CID 100019
6-(butylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 2262624
2,4(1H,3H)-Pyrimidinedione, 3-ethyl-6-methyl-
CID 70505
Uracil, 3-butyl-6-methyl-
CID 70528
Uracil, 6-methyl-4-propyl-
CID 165610
3-methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione
CID 386639
3,6-Dimethyl-1-(5-pyrrolidinylpentyl)-1,3-dihydropyrimidine-2,4-dione
CID 655968
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
N-tert-butyl-2-(3-butyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 137640026
N-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137640869
3-Isobutyl-6-methyluracil
CID 103331

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione (CID 7282554) is 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CCCC[NH+]1CCCC1.
What is the InChIKey of 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione?
The InChIKey is UWWZQCVMCYLHDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O2/c1-12-11-13(18)15(2)14(19)17(12)10-6-5-9-16-7-3-4-8-16/h11H,3-10H2,1-2H3/p+1.
What are the key properties of 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione?
3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione has a molecular weight of 266.36 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(4-pyrrolidin-1-ium-1-ylbutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 7282554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).