2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid

C14H21N3O4 — CID 43469842

IUPAC2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cc1c(C)nc(=O)[nH]c1C)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-4-5-6-11(13(19)20)17-12(18)7-10-8(2)15-14(21)16-9(10)3/h11H,4-7H2,1-3H3,(H,17,18)(H,19,20)(H,15,16,21)
InChIKeyVPHWBJNRQNCOPI-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.69
Rot. Bonds7

About 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid

2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid (PubChem CID 43469842) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid
PubChem CID43469842
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid
SMILESCCCCC(NC(=O)Cc1c(C)nc(=O)[nH]c1C)C(=O)O
InChIInChI=1S/C14H21N3O4/c1-4-5-6-11(13(19)20)17-12(18)7-10-8(2)15-14(21)16-9(10)3/h11H,4-7H2,1-3H3,(H,17,18)(H,19,20)(H,15,16,21)
InChIKeyVPHWBJNRQNCOPI-UHFFFAOYSA-N
XLogP0.69
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-hydroxybutanoic acid
CID 107821788
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43469506
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43355414
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
CID 62674437
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79253049
(2S)-2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 107144153
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoate
CID 43408263
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)acetamide
CID 43500358
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 106154787
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 107866602
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methoxybutanoic acid
CID 103153142
(2S)-2-[[2-(4-ethylphenyl)acetyl]amino]hexanoic acid
CID 120615590

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid?
The IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid (CID 43469842) is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid.
What is the SMILES notation for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid?
The canonical SMILES for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid is CCCCC(NC(=O)Cc1c(C)nc(=O)[nH]c1C)C(=O)O.
What is the InChIKey of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid?
The InChIKey is VPHWBJNRQNCOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-5-6-11(13(19)20)17-12(18)7-10-8(2)15-14(21)16-9(10)3/h11H,4-7H2,1-3H3,(H,17,18)(H,19,20)(H,15,16,21).
What are the key properties of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid?
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid has a molecular weight of 295.34 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid is sourced from PubChem (CID 43469842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).