5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione

C9H13N3O2 — CID 175916787

IUPAC5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione
SMILES[2H]c1cn(C2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c13-8-3-6-12(9(14)11-8)7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,13,14)/i3D
InChIKeyUTGRWCCEJROVAT-WFVSFCRTSA-N
MW196.23 g/mol
LogP-0.54
Rot. Bonds1

About 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione

5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione (PubChem CID 175916787) has the molecular formula C9H13N3O2 and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione
PubChem CID175916787
Molecular FormulaC9H13N3O2
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione
SMILES[2H]c1cn(C2CCNCC2)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c13-8-3-6-12(9(14)11-8)7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,13,14)/i3D
InChIKeyUTGRWCCEJROVAT-WFVSFCRTSA-N
XLogP-0.54
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
CID 5310262
1-Cyclohexyluracil
CID 96505
1-cyclopentylpyrimidine-2,4(1H,3H)-dione
CID 10058121
2,4-dioxo-N-pentylpyrimidine-1-carboxamide
CID 71655045
1-(3-Piperidin-1-ylpropyl)pyrimidine-2,4-dione
CID 118713499
5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 745053
3-cyclohexyl-6-piperidin-1-yl-1H-pyrimidine-2,4-dione
CID 4141058
6-(3-Aminopiperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 132372620
1-(Piperidin-3-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 137947129
6-(4-Aminopiperidin-1-yl)-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione dihydrochloride
CID 137951228
1-(Piperidin-4-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride
CID 145874251
Cyclohexyluracil
CID 69480712

Frequently Asked Questions

What is the IUPAC name of 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione?
The IUPAC name of 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione (CID 175916787) is 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione is [2H]c1cn(C2CCNCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione?
The InChIKey is UTGRWCCEJROVAT-WFVSFCRTSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-3-6-12(9(14)11-8)7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,13,14)/i3D.
What are the key properties of 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione?
5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione has a molecular weight of 196.23 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-1-piperidin-4-ylpyrimidine-2,4-dione is sourced from PubChem (CID 175916787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).