3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione

C13H17ClN4O2 — CID 80977980

IUPAC3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESCCCc1nc(Cl)c(C)c(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C13H17ClN4O2/c1-3-4-9-16-11(14)7(2)12(17-9)15-8-5-6-10(19)18-13(8)20/h8H,3-6H2,1-2H3,(H,15,16,17)(H,18,19,20)
InChIKeyCBRFHFFRUYHVCY-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.61
Rot. Bonds4

About 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione

3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione (PubChem CID 80977980) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione
PubChem CID80977980
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESCCCc1nc(Cl)c(C)c(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C13H17ClN4O2/c1-3-4-9-16-11(14)7(2)12(17-9)15-8-5-6-10(19)18-13(8)20/h8H,3-6H2,1-2H3,(H,15,16,17)(H,18,19,20)
InChIKeyCBRFHFFRUYHVCY-UHFFFAOYSA-N
XLogP1.61
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-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-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257553
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80978849
6-chloro-5-methyl-N-(2-methylcyclopropyl)-2-propylpyrimidin-4-amine
CID 80971739
6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972193
6-chloro-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 80970319
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80972579
5-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]piperidin-2-one
CID 80983534
6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine
CID 114156780
3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80941192
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80938259

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione (CID 80977980) is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione is CCCc1nc(Cl)c(C)c(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione?
The InChIKey is CBRFHFFRUYHVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-3-4-9-16-11(14)7(2)12(17-9)15-8-5-6-10(19)18-13(8)20/h8H,3-6H2,1-2H3,(H,15,16,17)(H,18,19,20).
What are the key properties of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione?
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione has a molecular weight of 296.76 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 80977980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).