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

C14H16N4O3 — CID 137098040

IUPAC3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCCC(=O)O)nc2)n1
InChIInChI=1S/C14H16N4O3/c1-2-10-7-12(19)18-14(17-10)9-3-4-11(16-8-9)15-6-5-13(20)21/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)(H,20,21)(H,17,18,19)
InChIKeyZSILJDJLFCVRQX-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.28
Rot. Bonds6

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

3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid (PubChem CID 137098040) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
PubChem CID137098040
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid
SMILESCCc1cc(=O)[nH]c(-c2ccc(NCCC(=O)O)nc2)n1
InChIInChI=1S/C14H16N4O3/c1-2-10-7-12(19)18-14(17-10)9-3-4-11(16-8-9)15-6-5-13(20)21/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)(H,20,21)(H,17,18,19)
InChIKeyZSILJDJLFCVRQX-UHFFFAOYSA-N
XLogP1.28
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[6-[(3-hydroxy-3-phenylbutyl)amino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137267445
(2R)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 137098081
(2S)-2-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 137098069
2-[6-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268792
2-[6-[(2,5-dimethylthiophen-3-yl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 136528513
4-ethyl-2-[6-[2-[(2S)-oxolan-2-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136714200
2-[6-[3-(3-bromophenyl)propylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268367
2-[6-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137272392
4-ethyl-2-[6-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137273710
2-[6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268747
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811
2-[6-[(2-cyclobutyloxyphenyl)methylamino]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137258186

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid?
The IUPAC name of 3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid (CID 137098040) is 3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid is CCc1cc(=O)[nH]c(-c2ccc(NCCC(=O)O)nc2)n1.
What is the InChIKey of 3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid?
The InChIKey is ZSILJDJLFCVRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-10-7-12(19)18-14(17-10)9-3-4-11(16-8-9)15-6-5-13(20)21/h3-4,7-8H,2,5-6H2,1H3,(H,15,16)(H,20,21)(H,17,18,19).
What are the key properties of 3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid?
3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid has a molecular weight of 288.31 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 137098040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).