3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione

C12H18N6O2 — CID 80855840

IUPAC3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCCCNc1cc(NC2CCC(=O)NC2=O)nc(N)n1
InChIInChI=1S/C12H18N6O2/c1-2-5-14-8-6-9(17-12(13)16-8)15-7-3-4-10(19)18-11(7)20/h6-7H,2-5H2,1H3,(H,18,19,20)(H4,13,14,15,16,17)
InChIKeyVYWVCJPFAHJOJW-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.10
Rot. Bonds5

About 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione

3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione (PubChem CID 80855840) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
PubChem CID80855840
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCCCNc1cc(NC2CCC(=O)NC2=O)nc(N)n1
InChIInChI=1S/C12H18N6O2/c1-2-5-14-8-6-9(17-12(13)16-8)15-7-3-4-10(19)18-11(7)20/h6-7H,2-5H2,1H3,(H,18,19,20)(H4,13,14,15,16,17)
InChIKeyVYWVCJPFAHJOJW-UHFFFAOYSA-N
XLogP0.10
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione (CID 80855840) is 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione is CCCNc1cc(NC2CCC(=O)NC2=O)nc(N)n1.
What is the InChIKey of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The InChIKey is VYWVCJPFAHJOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-2-5-14-8-6-9(17-12(13)16-8)15-7-3-4-10(19)18-11(7)20/h6-7H,2-5H2,1H3,(H,18,19,20)(H4,13,14,15,16,17).
What are the key properties of 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione has a molecular weight of 278.32 g/mol, XLogP of 0.10, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 80855840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).