5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

C13H20N4O3 — CID 125120155

IUPAC5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESC[C@@H](N)[C@@H]1CCCCN1C(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O3/c1-8(14)10-5-3-4-6-17(10)12(19)9-7-15-13(20)16(2)11(9)18/h7-8,10H,3-6,14H2,1-2H3,(H,15,20)/t8-,10+/m1/s1
InChIKeySLRYCODKANLTJE-SCZZXKLOSA-N
MW280.33 g/mol
LogP-0.58
Rot. Bonds2

About 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione

5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 125120155) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID125120155
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESC[C@@H](N)[C@@H]1CCCCN1C(=O)c1c[nH]c(=O)n(C)c1=O
InChIInChI=1S/C13H20N4O3/c1-8(14)10-5-3-4-6-17(10)12(19)9-7-15-13(20)16(2)11(9)18/h7-8,10H,3-6,14H2,1-2H3,(H,15,20)/t8-,10+/m1/s1
InChIKeySLRYCODKANLTJE-SCZZXKLOSA-N
XLogP-0.58
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone;hydrochloride
CID 119435517
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 124516853
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 103805470
[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443198
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(2-bromo-5-methylthiophen-3-yl)methanone
CID 125134854
[2-(1-aminoethyl)piperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671402
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4-methylphenyl)methanone
CID 106862126
[2-(1-aminoethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 119436569
[2-(1-aminoethyl)piperidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119437168

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 125120155) is 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is C[C@@H](N)[C@@H]1CCCCN1C(=O)c1c[nH]c(=O)n(C)c1=O.
What is the InChIKey of 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is SLRYCODKANLTJE-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(14)10-5-3-4-6-17(10)12(19)9-7-15-13(20)16(2)11(9)18/h7-8,10H,3-6,14H2,1-2H3,(H,15,20)/t8-,10+/m1/s1.
What are the key properties of 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione?
5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 280.33 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-[(1R)-1-aminoethyl]piperidine-1-carbonyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 125120155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).