5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H24N4O2 — CID 43694213

IUPAC5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCN3CCCCC23)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O2/c1-17-10-11(14(20)18(2)15(17)21)9-16-12-6-8-19-7-4-3-5-13(12)19/h10,12-13,16H,3-9H2,1-2H3
InChIKeyYOKNKDBJJXTBLR-UHFFFAOYSA-N
MW292.38 g/mol
LogP-0.20
Rot. Bonds3

About 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43694213) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43694213
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(CNC2CCN3CCCCC23)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O2/c1-17-10-11(14(20)18(2)15(17)21)9-16-12-6-8-19-7-4-3-5-13(12)19/h10,12-13,16H,3-9H2,1-2H3
InChIKeyYOKNKDBJJXTBLR-UHFFFAOYSA-N
XLogP-0.20
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43694213) is 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(CNC2CCN3CCCCC23)c(=O)n(C)c1=O.
What is the InChIKey of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is YOKNKDBJJXTBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-10-11(14(20)18(2)15(17)21)9-16-12-6-8-19-7-4-3-5-13(12)19/h10,12-13,16H,3-9H2,1-2H3.
What are the key properties of 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 292.38 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43694213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).