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

C10H15N3O5 — CID 136958759

IUPAC4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCOCCC(Nc1nc[nH]c(=O)c1OC)C(=O)O
InChIInChI=1S/C10H15N3O5/c1-17-4-3-6(10(15)16)13-8-7(18-2)9(14)12-5-11-8/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyXWVUVDULOPKWRH-UHFFFAOYSA-N
MW257.25 g/mol
LogP-0.32
Rot. Bonds7

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

4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (PubChem CID 136958759) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
PubChem CID136958759
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
SMILESCOCCC(Nc1nc[nH]c(=O)c1OC)C(=O)O
InChIInChI=1S/C10H15N3O5/c1-17-4-3-6(10(15)16)13-8-7(18-2)9(14)12-5-11-8/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14)
InChIKeyXWVUVDULOPKWRH-UHFFFAOYSA-N
XLogP-0.32
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136901117
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
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]pentanoic acid
CID 136958474
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]acetic acid
CID 136958505
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propan-2-ylamino]propanoic acid
CID 136958512
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]propanoic acid
CID 136958559
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 4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid (CID 136958759) is 4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is COCCC(Nc1nc[nH]c(=O)c1OC)C(=O)O.
What is the InChIKey of 4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is XWVUVDULOPKWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-17-4-3-6(10(15)16)13-8-7(18-2)9(14)12-5-11-8/h5-6H,3-4H2,1-2H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid?
4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 257.25 g/mol, XLogP of -0.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 136958759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).