5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H28N4O2 — CID 28612012

IUPAC5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)N(CCNCc1cn(C)c(=O)n(C)c1=O)C(C)C
InChIInChI=1S/C15H28N4O2/c1-11(2)19(12(3)4)8-7-16-9-13-10-17(5)15(21)18(6)14(13)20/h10-12,16H,7-9H2,1-6H3
InChIKeyIXZVJQGFGJYYSA-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.29
Rot. Bonds7

About 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 28612012) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID28612012
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)N(CCNCc1cn(C)c(=O)n(C)c1=O)C(C)C
InChIInChI=1S/C15H28N4O2/c1-11(2)19(12(3)4)8-7-16-9-13-10-17(5)15(21)18(6)14(13)20/h10-12,16H,7-9H2,1-6H3
InChIKeyIXZVJQGFGJYYSA-UHFFFAOYSA-N
XLogP0.29
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 28612012) is 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CC(C)N(CCNCc1cn(C)c(=O)n(C)c1=O)C(C)C.
What is the InChIKey of 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is IXZVJQGFGJYYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(2)19(12(3)4)8-7-16-9-13-10-17(5)15(21)18(6)14(13)20/h10-12,16H,7-9H2,1-6H3.
What are the key properties of 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 296.42 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 28612012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).