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

C11H18N4O3 — CID 137015915

IUPAC2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-11(4-2,10(17)18)5-13-8-7(12)9(16)15-6-14-8/h6H,3-5,12H2,1-2H3,(H,17,18)(H2,13,14,15,16)
InChIKeyTXARZSWMDNEOAS-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.65
Rot. Bonds6

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

2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 137015915) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
PubChem CID137015915
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNc1nc[nH]c(=O)c1N)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-11(4-2,10(17)18)5-13-8-7(12)9(16)15-6-14-8/h6H,3-5,12H2,1-2H3,(H,17,18)(H2,13,14,15,16)
InChIKeyTXARZSWMDNEOAS-UHFFFAOYSA-N
XLogP0.65
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid with MolForge

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Related Compounds

2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136858001
5-amino-4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-1H-pyrimidin-6-one
CID 136864257
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958402
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanoic acid
CID 136958554
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958655
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958777
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]butanoic acid
CID 136958811
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid
CID 136958818
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-4-carboxylic acid
CID 136958845
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 136958877
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 136958882
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136959043

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid (CID 137015915) is 2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNc1nc[nH]c(=O)c1N)C(=O)O.
What is the InChIKey of 2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is TXARZSWMDNEOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-11(4-2,10(17)18)5-13-8-7(12)9(16)15-6-14-8/h6H,3-5,12H2,1-2H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of 2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid?
2-[[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.65, 6 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]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 137015915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).