3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid

C9H13N3O3 — CID 84678272

IUPAC3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCCc1[nH]c(=O)nc(N)c1CCC(=O)O
InChIInChI=1S/C9H13N3O3/c1-2-6-5(3-4-7(13)14)8(10)12-9(15)11-6/h2-4H2,1H3,(H,13,14)(H3,10,11,12,15)
InChIKeyLUZQWNMWPUBESL-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.07
Rot. Bonds4

About 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid

3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (PubChem CID 84678272) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
PubChem CID84678272
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
SMILESCCc1[nH]c(=O)nc(N)c1CCC(=O)O
InChIInChI=1S/C9H13N3O3/c1-2-6-5(3-4-7(13)14)8(10)12-9(15)11-6/h2-4H2,1H3,(H,13,14)(H3,10,11,12,15)
InChIKeyLUZQWNMWPUBESL-UHFFFAOYSA-N
XLogP-0.07
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid
CID 81346036
4-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857321
4-amino-2-oxo-5,6,7,8-tetrahydro-1H-quinazoline-6-carboxylic acid
CID 83863726
2-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 84667440
3-(4-amino-6-methyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84667441
2-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 84678268
3-(4-amino-6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
CID 84679771
3-(4-amino-6-cyclopropyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84688204
3-(4-amino-2-oxo-6-propan-2-yl-1H-pyrimidin-5-yl)propanoic acid
CID 84689708
3-(4-Amino-6-ethyl-2-sulfanylidene-1,2-dihydropyrimidin-5-yl)propanoic acid
CID 84691280
3-(4-amino-6-cyclobutyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 84700015
3-(4-amino-6-cyclopropyl-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid
CID 84701333

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The IUPAC name of 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid (CID 84678272) is 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The canonical SMILES for 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is CCc1[nH]c(=O)nc(N)c1CCC(=O)O.
What is the InChIKey of 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
The InChIKey is LUZQWNMWPUBESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-2-6-5(3-4-7(13)14)8(10)12-9(15)11-6/h2-4H2,1H3,(H,13,14)(H3,10,11,12,15).
What are the key properties of 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid?
3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid has a molecular weight of 211.22 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-6-ethyl-2-oxo-1H-pyrimidin-5-yl)propanoic acid is sourced from PubChem (CID 84678272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).