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

C10H15N3O4 — CID 136958758

IUPAC4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCOCCC(Nc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-6-11-8(5-9(14)12-6)13-7(10(15)16)3-4-17-2/h5,7H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyYZLXLTCNYISTII-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.02
Rot. Bonds6

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

4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136958758) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136958758
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCOCCC(Nc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-6-11-8(5-9(14)12-6)13-7(10(15)16)3-4-17-2/h5,7H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyYZLXLTCNYISTII-UHFFFAOYSA-N
XLogP-0.02
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136958758) is 4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is COCCC(Nc1cc(=O)[nH]c(C)n1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is YZLXLTCNYISTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6-11-8(5-9(14)12-6)13-7(10(15)16)3-4-17-2/h5,7H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136958758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).