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

C10H15N3O4 — CID 136959287

IUPAC2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
SMILESCCC(C)(Nc1nc[nH]c(=O)c1OC)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-4-10(2,9(15)16)13-7-6(17-3)8(14)12-5-11-7/h5H,4H2,1-3H3,(H,15,16)(H2,11,12,13,14)
InChIKeyARLATKNRWMTWEW-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.44
Rot. Bonds5

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

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid (PubChem CID 136959287) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
PubChem CID136959287
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid
SMILESCCC(C)(Nc1nc[nH]c(=O)c1OC)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-4-10(2,9(15)16)13-7-6(17-3)8(14)12-5-11-7/h5H,4H2,1-3H3,(H,15,16)(H2,11,12,13,14)
InChIKeyARLATKNRWMTWEW-UHFFFAOYSA-N
XLogP0.44
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,3-trifluoro-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136959294
4-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-methoxy-1H-pyrimidin-6-one
CID 136938548
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958374
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958381
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
CID 136958400
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958407
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958429
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958436
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958469
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958474
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958603
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958668

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid (CID 136959287) is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid is CCC(C)(Nc1nc[nH]c(=O)c1OC)C(=O)O.
What is the InChIKey of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid?
The InChIKey is ARLATKNRWMTWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-4-10(2,9(15)16)13-7-6(17-3)8(14)12-5-11-7/h5H,4H2,1-3H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid?
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 136959287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).