1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione

C11H12ClN3O2 — CID 80664015

IUPAC1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
SMILESCc1cc(Cl)nc(CN2C(=O)CCCC2=O)n1
InChIInChI=1S/C11H12ClN3O2/c1-7-5-8(12)14-9(13-7)6-15-10(16)3-2-4-11(15)17/h5H,2-4,6H2,1H3
InChIKeyAUUDIADEYPFMEP-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.48
Rot. Bonds2

About 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione

1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione (PubChem CID 80664015) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
PubChem CID80664015
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
SMILESCc1cc(Cl)nc(CN2C(=O)CCCC2=O)n1
InChIInChI=1S/C11H12ClN3O2/c1-7-5-8(12)14-9(13-7)6-15-10(16)3-2-4-11(15)17/h5H,2-4,6H2,1H3
InChIKeyAUUDIADEYPFMEP-UHFFFAOYSA-N
XLogP1.48
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione (CID 80664015) is 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione is Cc1cc(Cl)nc(CN2C(=O)CCCC2=O)n1.
What is the InChIKey of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione?
The InChIKey is AUUDIADEYPFMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-7-5-8(12)14-9(13-7)6-15-10(16)3-2-4-11(15)17/h5H,2-4,6H2,1H3.
What are the key properties of 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione?
1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione has a molecular weight of 253.69 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 80664015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).