3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid

C9H13N3O3 — CID 83857357

IUPAC3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cc(N)nc(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-9(2,7(13)14)4-5-3-6(10)12-8(15)11-5/h3H,4H2,1-2H3,(H,13,14)(H3,10,11,12,15)
InChIKeyZNABECRHHJEIFH-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.01
Rot. Bonds3

About 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid

3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid (PubChem CID 83857357) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
PubChem CID83857357
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1cc(N)nc(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-9(2,7(13)14)4-5-3-6(10)12-8(15)11-5/h3H,4H2,1-2H3,(H,13,14)(H3,10,11,12,15)
InChIKeyZNABECRHHJEIFH-UHFFFAOYSA-N
XLogP0.01
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080379
4-amino-6-(2-aminoethyl)-1H-pyrimidin-2-one
CID 83851764
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354
3-(5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195358
4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one
CID 83857359
3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248
3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid
CID 156541138
3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
CID 156541095
4-amino-6-bromo-1H-pyrimidin-2-one
CID 101367928
2,2-dimethyl-3-(5-methyl-1H-imidazol-2-yl)propanoic acid
CID 116878922
3-[3-(6-amino-3-fluoro-2-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
CID 156541662
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid (CID 83857357) is 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid is CC(C)(Cc1cc(N)nc(=O)[nH]1)C(=O)O.
What is the InChIKey of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid?
The InChIKey is ZNABECRHHJEIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-9(2,7(13)14)4-5-3-6(10)12-8(15)11-5/h3H,4H2,1-2H3,(H,13,14)(H3,10,11,12,15).
What are the key properties of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid?
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 83857357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).