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

C8H11N3O3 — CID 83857355

IUPAC3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCC(Cc1cc(N)nc(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H11N3O3/c1-4(7(12)13)2-5-3-6(9)11-8(14)10-5/h3-4H,2H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyCHXQSZPESIFBSC-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.38
Rot. Bonds3

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

3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid (PubChem CID 83857355) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
PubChem CID83857355
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCC(Cc1cc(N)nc(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H11N3O3/c1-4(7(12)13)2-5-3-6(9)11-8(14)10-5/h3-4H,2H2,1H3,(H,12,13)(H3,9,10,11,14)
InChIKeyCHXQSZPESIFBSC-UHFFFAOYSA-N
XLogP-0.38
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 ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
6-butan-2-yl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81345800
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)butanoic acid
CID 83857328
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclopropane-1-carboxylic acid
CID 83857331
2-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857335
4-amino-2-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857337
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-3-methylbutanoic acid
CID 83857356
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
CID 83857357
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 83858503

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid (CID 83857355) is 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid is CC(Cc1cc(N)nc(=O)[nH]1)C(=O)O.
What is the InChIKey of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
The InChIKey is CHXQSZPESIFBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-4(7(12)13)2-5-3-6(9)11-8(14)10-5/h3-4H,2H2,1H3,(H,12,13)(H3,9,10,11,14).
What are the key properties of 3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.38, 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-methylpropanoic acid is sourced from PubChem (CID 83857355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).