3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one

C12H21N3O — CID 82168040

IUPAC3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one
SMILESCCc1c(C)nc(C)n(CC(N)CC)c1=O
InChIInChI=1S/C12H21N3O/c1-5-10(13)7-15-9(4)14-8(3)11(6-2)12(15)16/h10H,5-7,13H2,1-4H3
InChIKeyUVJWEPICSUKKIG-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.16
Rot. Bonds4

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

3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one (PubChem CID 82168040) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one
PubChem CID82168040
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one
SMILESCCc1c(C)nc(C)n(CC(N)CC)c1=O
InChIInChI=1S/C12H21N3O/c1-5-10(13)7-15-9(4)14-8(3)11(6-2)12(15)16/h10H,5-7,13H2,1-4H3
InChIKeyUVJWEPICSUKKIG-UHFFFAOYSA-N
XLogP1.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
5-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136089133
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
2-methyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 135671154
2,4-dimethyl-5-[1-(3,3,3-trifluoropropylamino)ethyl]-1H-pyrimidin-6-one
CID 136043593
2,4-dimethyl-5-[1-(4,4,4-trifluorobutan-2-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136786637
2,4-dimethyl-5-[1-(4,4,4-trifluorobutylamino)ethyl]-1H-pyrimidin-6-one
CID 136952773
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 137161911
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-methylbutyl)acetamide
CID 135896967
N-({1-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}methyl)acetamide
CID 136145903
2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide
CID 59959661
3-Ethyl-2-methyl-5,6-di(propan-2-yl)pyrimidin-4-one
CID 68238810

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one (CID 82168040) is 3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one is CCc1c(C)nc(C)n(CC(N)CC)c1=O.
What is the InChIKey of 3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one?
The InChIKey is UVJWEPICSUKKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-10(13)7-15-9(4)14-8(3)11(6-2)12(15)16/h10H,5-7,13H2,1-4H3.
What are the key properties of 3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one?
3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-5-ethyl-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 82168040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).