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

C14H26N4O2 — CID 43205583

IUPAC5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)C(CNCc1cn(C)c(=O)n(C)c1=O)N(C)C
InChIInChI=1S/C14H26N4O2/c1-10(2)12(16(3)4)8-15-7-11-9-17(5)14(20)18(6)13(11)19/h9-10,12,15H,7-8H2,1-6H3
InChIKeyCDTMTFVKKAFDIG-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.24
Rot. Bonds6

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

5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43205583) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43205583
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(C)C(CNCc1cn(C)c(=O)n(C)c1=O)N(C)C
InChIInChI=1S/C14H26N4O2/c1-10(2)12(16(3)4)8-15-7-11-9-17(5)14(20)18(6)13(11)19/h9-10,12,15H,7-8H2,1-6H3
InChIKeyCDTMTFVKKAFDIG-UHFFFAOYSA-N
XLogP-0.24
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 43205583) is 5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is CC(C)C(CNCc1cn(C)c(=O)n(C)c1=O)N(C)C.
What is the InChIKey of 5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CDTMTFVKKAFDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-10(2)12(16(3)4)8-15-7-11-9-17(5)14(20)18(6)13(11)19/h9-10,12,15H,7-8H2,1-6H3.
What are the key properties of 5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione?
5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 282.39 g/mol, XLogP of -0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43205583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).