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

C11H14N4O2 — CID 80654500

IUPAC1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
SMILESCc1cc(N)nc(CN2C(=O)CCCC2=O)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-8(12)14-9(13-7)6-15-10(16)3-2-4-11(15)17/h5H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeyFNYCYRFSZHVDAQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.41
Rot. Bonds2

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

1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione (PubChem CID 80654500) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
PubChem CID80654500
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
SMILESCc1cc(N)nc(CN2C(=O)CCCC2=O)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-8(12)14-9(13-7)6-15-10(16)3-2-4-11(15)17/h5H,2-4,6H2,1H3,(H2,12,13,14)
InChIKeyFNYCYRFSZHVDAQ-UHFFFAOYSA-N
XLogP0.41
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione?
The IUPAC name of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione (CID 80654500) is 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione is Cc1cc(N)nc(CN2C(=O)CCCC2=O)n1.
What is the InChIKey of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione?
The InChIKey is FNYCYRFSZHVDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-5-8(12)14-9(13-7)6-15-10(16)3-2-4-11(15)17/h5H,2-4,6H2,1H3,(H2,12,13,14).
What are the key properties of 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione?
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione has a molecular weight of 234.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione is sourced from PubChem (CID 80654500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).