2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one

C12H20N4O — CID 102549305

IUPAC2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one
SMILESCc1nc(N2CCCC(N)C2)n(C)c(=O)c1C
InChIInChI=1S/C12H20N4O/c1-8-9(2)14-12(15(3)11(8)17)16-6-4-5-10(13)7-16/h10H,4-7,13H2,1-3H3
InChIKeyDYODDMWGSGWBRG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.32
Rot. Bonds1

About 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one

2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one (PubChem CID 102549305) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one
PubChem CID102549305
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one
SMILESCc1nc(N2CCCC(N)C2)n(C)c(=O)c1C
InChIInChI=1S/C12H20N4O/c1-8-9(2)14-12(15(3)11(8)17)16-6-4-5-10(13)7-16/h10H,4-7,13H2,1-3H3
InChIKeyDYODDMWGSGWBRG-UHFFFAOYSA-N
XLogP0.32
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 11348315
2-[[2-(3-aminopiperidin-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 68625482
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-propan-2-ylpurine-2,6-dione
CID 57499233
2-[[2-(3-aminopiperidin-1-yl)-5-bromo-4-methyl-6-oxopyrimidin-1-yl]methyl]benzonitrile
CID 68623834
2-[(3S)-3-aminopiperidin-1-yl]-3-benzyl-5,6-dimethylimidazo[4,5-d]pyridazine-4,7-dione;dihydrochloride
CID 11339674
1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-3-amine
CID 65168620
8-(3-aminopiperidin-1-yl)-7-hex-2-enyl-1,3-dimethylpurine-2,6-dione
CID 66724021
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-pent-2-ynylpurine-2,6-dione
CID 57498953
8-(3-aminopiperidin-1-yl)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 22508582
3-[(3R)-3-aminopiperidin-1-yl]-1-methylpyrazin-2-one
CID 94896992
(3R)-1-(5,6-dimethylpyrazin-2-yl)piperidin-3-amine
CID 102986367
8-(3-aminopiperidin-1-yl)-1-methyl-7-(3-methylbut-2-enyl)-3-prop-1-enylpurine-2,6-dione
CID 175372915

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one?
The IUPAC name of 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one (CID 102549305) is 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one.
What is the SMILES notation for 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one?
The canonical SMILES for 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one is Cc1nc(N2CCCC(N)C2)n(C)c(=O)c1C.
What is the InChIKey of 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one?
The InChIKey is DYODDMWGSGWBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-9(2)14-12(15(3)11(8)17)16-6-4-5-10(13)7-16/h10H,4-7,13H2,1-3H3.
What are the key properties of 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one?
2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one has a molecular weight of 236.32 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4-one is sourced from PubChem (CID 102549305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).