5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

C15H28N4O2 — CID 43207970

IUPAC5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)CC(CNCc1cn(C)c(=O)n(C)c1=O)N(C)C
InChIInChI=1S/C15H28N4O2/c1-11(2)7-13(17(3)4)9-16-8-12-10-18(5)15(21)19(6)14(12)20/h10-11,13,16H,7-9H2,1-6H3
InChIKeySOPFWTZVMUFVEK-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.15
Rot. Bonds7

About 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43207970) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43207970
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)CC(CNCc1cn(C)c(=O)n(C)c1=O)N(C)C
InChIInChI=1S/C15H28N4O2/c1-11(2)7-13(17(3)4)9-16-8-12-10-18(5)15(21)19(6)14(12)20/h10-11,13,16H,7-9H2,1-6H3
InChIKeySOPFWTZVMUFVEK-UHFFFAOYSA-N
XLogP0.15
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 ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43207970) is 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CC(C)CC(CNCc1cn(C)c(=O)n(C)c1=O)N(C)C.
What is the InChIKey of 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SOPFWTZVMUFVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(2)7-13(17(3)4)9-16-8-12-10-18(5)15(21)19(6)14(12)20/h10-11,13,16H,7-9H2,1-6H3.
What are the key properties of 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 296.42 g/mol, XLogP of 0.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-4-methylpentyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43207970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).