3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one

C11H19N3O — CID 82168037

IUPAC3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one
SMILESCCC(N)Cn1c(C)nc(C)c(C)c1=O
InChIInChI=1S/C11H19N3O/c1-5-10(12)6-14-9(4)13-8(3)7(2)11(14)15/h10H,5-6,12H2,1-4H3
InChIKeyGASNMAQRYNUPQM-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.91
Rot. Bonds3

About 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one

3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one (PubChem CID 82168037) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one
PubChem CID82168037
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one
SMILESCCC(N)Cn1c(C)nc(C)c(C)c1=O
InChIInChI=1S/C11H19N3O/c1-5-10(12)6-14-9(4)13-8(3)7(2)11(14)15/h10H,5-6,12H2,1-4H3
InChIKeyGASNMAQRYNUPQM-UHFFFAOYSA-N
XLogP0.91
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 51072226
5-methyl-2-(methylaminomethyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136197471
2-(1-aminopropyl)-5-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136197476
2-(ethylaminomethyl)-5-methyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136197486
5-methyl-2-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136197487
3-Ethyl-2,5,6-trimethylpyrimidin-4-one
CID 22091870
2,3,5,6-Tetramethyl-1-propan-2-ylpyrimidin-1-ium-4-one
CID 59338933
2,5,6-Trimethyl-3-propan-2-ylpyrimidin-4-one
CID 59463795
6-(Aminomethyl)-1,2,5-trimethylpyrimidin-4-one
CID 60125702
3-[2-(Dimethylamino)ethyl]-2,5,6-trimethylpyrimidin-4-one
CID 129127184
3-[2-(Dimethylamino)ethyl]-5,6-dimethyl-2-propan-2-ylpyrimidin-4-one
CID 129127197
2-(Aminomethyl)-5,6-dimethyl-4-pyrimidinol
CID 136103101

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one?
The IUPAC name of 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one (CID 82168037) is 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one is CCC(N)Cn1c(C)nc(C)c(C)c1=O.
What is the InChIKey of 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one?
The InChIKey is GASNMAQRYNUPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-10(12)6-14-9(4)13-8(3)7(2)11(14)15/h10H,5-6,12H2,1-4H3.
What are the key properties of 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one?
3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-2,5,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 82168037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).