6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione

C13H20ClN3O2 — CID 113404592

IUPAC6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(CC2CCN(C)CC2)c1=O
InChIInChI=1S/C13H20ClN3O2/c1-3-10-11(14)15-13(19)17(12(10)18)8-9-4-6-16(2)7-5-9/h9H,3-8H2,1-2H3,(H,15,19)
InChIKeyQSWBFXAFZBCNDL-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.09
Rot. Bonds3

About 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione

6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 113404592) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID113404592
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
SMILESCCc1c(Cl)[nH]c(=O)n(CC2CCN(C)CC2)c1=O
InChIInChI=1S/C13H20ClN3O2/c1-3-10-11(14)15-13(19)17(12(10)18)8-9-4-6-16(2)7-5-9/h9H,3-8H2,1-2H3,(H,15,19)
InChIKeyQSWBFXAFZBCNDL-UHFFFAOYSA-N
XLogP1.09
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-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

6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione
CID 113404478
6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 113479595
4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208652
4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208678
6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 114109898
6-chloro-3-(3,4-dimethylcyclohexyl)-5-ethyl-1H-pyrimidine-2,4-dione
CID 113404181
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
5-ethyl-6-methyl-3-(piperidin-4-ylmethyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 95945251
5-ethyl-1-[(4-ethylcyclohexyl)methyl]-6-hydroxypyrimidine-2,4-dione
CID 115947652
6-chloro-5-fluoro-3-[(3-methylcyclohexyl)methyl]-1H-pyrimidine-2,4-dione
CID 114129738
6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 106003024
6-chloro-3-hexyl-5-propyl-1H-pyrimidine-2,4-dione
CID 113404730

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione (CID 113404592) is 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione is CCc1c(Cl)[nH]c(=O)n(CC2CCN(C)CC2)c1=O.
What is the InChIKey of 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is QSWBFXAFZBCNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-3-10-11(14)15-13(19)17(12(10)18)8-9-4-6-16(2)7-5-9/h9H,3-8H2,1-2H3,(H,15,19).
What are the key properties of 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione?
6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 285.78 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).