2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid

C8H12N4O3 — CID 136958598

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C8H12N4O3/c1-8(2,7(14)15)12-5-4(9)6(13)11-3-10-5/h3H,9H2,1-2H3,(H,14,15)(H2,10,11,12,13)
InChIKeyQZLINKWXQJKJLC-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.37
Rot. Bonds3

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid (PubChem CID 136958598) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
PubChem CID136958598
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
SMILESCC(C)(Nc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C8H12N4O3/c1-8(2,7(14)15)12-5-4(9)6(13)11-3-10-5/h3H,9H2,1-2H3,(H,14,15)(H2,10,11,12,13)
InChIKeyQZLINKWXQJKJLC-UHFFFAOYSA-N
XLogP-0.37
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid (CID 136958598) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid is CC(C)(Nc1nc[nH]c(=O)c1N)C(=O)O.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid?
The InChIKey is QZLINKWXQJKJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-8(2,7(14)15)12-5-4(9)6(13)11-3-10-5/h3H,9H2,1-2H3,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid has a molecular weight of 212.21 g/mol, XLogP of -0.37, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 136958598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).