6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione

C12H21N3O2 — CID 67222197

IUPAC6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione
SMILESCCCC(CCCCN)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-2-5-9(6-3-4-7-13)10-8-11(16)15-12(17)14-10/h8-9H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyOJODWDNPUUGPRI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.08
Rot. Bonds7

About 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione

6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione (PubChem CID 67222197) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione
PubChem CID67222197
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione
SMILESCCCC(CCCCN)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H21N3O2/c1-2-5-9(6-3-4-7-13)10-8-11(16)15-12(17)14-10/h8-9H,2-7,13H2,1H3,(H2,14,15,16,17)
InChIKeyOJODWDNPUUGPRI-UHFFFAOYSA-N
XLogP1.08
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione (CID 67222197) is 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione is CCCC(CCCCN)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is OJODWDNPUUGPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-5-9(6-3-4-7-13)10-8-11(16)15-12(17)14-10/h8-9H,2-7,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione?
6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 239.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-aminooctan-4-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67222197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).