2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid

C8H11N3O3 — CID 83857328

IUPAC2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-2-4(7(12)13)5-3-6(9)11-8(14)10-5/h3-4H,2H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyDUXTUEODEDGLGT-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.07
Rot. Bonds3

About 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid

2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid (PubChem CID 83857328) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
PubChem CID83857328
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-2-4(7(12)13)5-3-6(9)11-8(14)10-5/h3-4H,2H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyDUXTUEODEDGLGT-UHFFFAOYSA-N
XLogP-0.07
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
6-Isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid hydrochloride
CID 71308010
6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid hydrate
CID 75530618
6-butan-2-yl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81345800
2-[4-(dimethylamino)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 82399133
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851818
2-(2-oxo-4-propan-2-yl-1H-pyrimidin-6-yl)acetic acid
CID 83852050
2-[4-(2-methylpropyl)-2-oxo-1H-pyrimidin-6-yl]acetic acid
CID 83852236
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857320
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 83857327
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
CID 83857330
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
CID 83857331

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The IUPAC name of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid (CID 83857328) is 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid.
What is the SMILES notation for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The canonical SMILES for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid is CCC(C(=O)O)c1cc(N)nc(=O)[nH]1.
What is the InChIKey of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The InChIKey is DUXTUEODEDGLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-4(7(12)13)5-3-6(9)11-8(14)10-5/h3-4H,2H2,1H3,(H,12,13)(H3,9,10,11,14).
What are the key properties of 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid?
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid is sourced from PubChem (CID 83857328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).