6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione

C14H20N4O2 — CID 72707535

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione
SMILESCC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H20N4O2/c1-3-4-8-18-12(9-13(19)16(2)14(18)20)17-7-5-6-11(15)10-17/h9,11H,5-8,10,15H2,1-2H3/t11-/m1/s1
InChIKeyUEUAULUPWUEHIO-LLVKDONJSA-N
MW276.34 g/mol
LogP-0.50
Rot. Bonds2

About 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione

6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione (PubChem CID 72707535) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione
PubChem CID72707535
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione
SMILESCC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C14H20N4O2/c1-3-4-8-18-12(9-13(19)16(2)14(18)20)17-7-5-6-11(15)10-17/h9,11H,5-8,10,15H2,1-2H3/t11-/m1/s1
InChIKeyUEUAULUPWUEHIO-LLVKDONJSA-N
XLogP-0.50
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

3-cyclohexyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 4141057
1,3-Dimethyl-6-(2-piperidin-1-ylethylamino)pyrimidine-2,4-dione
CID 657656
3-cyclohexyl-6-(4-ethyl-1-piperazinyl)-2,4(1H,3H)-pyrimidinedione
CID 3571734
6-[(3R)-3-aminopiperidin-1-yl]-1,3-bis(but-2-ynyl)pyrimidine-2,4-dione
CID 72707536
Urea, 1-cyclohexyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-
CID 208120
1,3-Dimethyl-6-[[4-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56796823
1,3-Dimethyl-6-[[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 56821553
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-propylpyrimidine-2,4-dione
CID 145961723
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-hexylpyrimidine-2,4-dione
CID 145961906
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-ethylpyrimidine-2,4-dione
CID 145962833
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-decylpyrimidine-2,4-dione
CID 145963692
1,3-Dimethyl-6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 12816873

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione (CID 72707535) is 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione is CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione?
The InChIKey is UEUAULUPWUEHIO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-4-8-18-12(9-13(19)16(2)14(18)20)17-7-5-6-11(15)10-17/h9,11H,5-8,10,15H2,1-2H3/t11-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione?
6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione has a molecular weight of 276.34 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-1-but-2-ynyl-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 72707535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).