5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C14H24N4O2 — CID 60855846

IUPAC5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN1CCC(CNCc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C14H24N4O2/c1-4-18-6-5-11(9-18)7-15-8-12-10-16(2)14(20)17(3)13(12)19/h10-11,15H,4-9H2,1-3H3
InChIKeyWTXTUMWYRQWTBX-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.48
Rot. Bonds5

About 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 60855846) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID60855846
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCN1CCC(CNCc2cn(C)c(=O)n(C)c2=O)C1
InChIInChI=1S/C14H24N4O2/c1-4-18-6-5-11(9-18)7-15-8-12-10-16(2)14(20)17(3)13(12)19/h10-11,15H,4-9H2,1-3H3
InChIKeyWTXTUMWYRQWTBX-UHFFFAOYSA-N
XLogP-0.48
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-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

5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 63897427
2-[2-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]phenyl]acetic acid
CID 115461655
1,3-dimethyl-5-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]pyrimidine-2,4-dione
CID 119126550
N-[(5-chloro-2-fluorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 115761800
5-[[3-(2-aminoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 167875980
N-[(2,4-dichlorophenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60856676
5-[(3-cyclopentylpropylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 103625241
6-[(1-ethylpyrrolidin-3-yl)methylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60855532
N-(1-benzofuran-3-ylmethyl)-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 80701048
N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 62346349
1-(1-ethylpyrrolidin-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 63001258

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 60855846) is 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CCN1CCC(CNCc2cn(C)c(=O)n(C)c2=O)C1.
What is the InChIKey of 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WTXTUMWYRQWTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-18-6-5-11(9-18)7-15-8-12-10-16(2)14(20)17(3)13(12)19/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 280.37 g/mol, XLogP of -0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 60855846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).