3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid

C10H15N3O4 — CID 103153890

IUPAC3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
SMILESCOc1cc(NCC(CC(=O)O)OC)ncn1
InChIInChI=1S/C10H15N3O4/c1-16-7(3-10(14)15)5-11-8-4-9(17-2)13-6-12-8/h4,6-7H,3,5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyIHWBHHZBOCZGLH-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.39
Rot. Bonds7

About 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid

3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid (PubChem CID 103153890) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
PubChem CID103153890
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
SMILESCOc1cc(NCC(CC(=O)O)OC)ncn1
InChIInChI=1S/C10H15N3O4/c1-16-7(3-10(14)15)5-11-8-4-9(17-2)13-6-12-8/h4,6-7H,3,5H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyIHWBHHZBOCZGLH-UHFFFAOYSA-N
XLogP0.39
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 66327238
2-[(6-methoxypyrimidin-4-yl)amino]-1-phenylethanol
CID 45242537
6-methoxy-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 66325791
N'-(6-methoxypyrimidin-4-yl)-2,2-dimethylpropane-1,3-diamine
CID 115366138
2-[(6-methoxypyrimidin-4-yl)amino]butanoic acid
CID 66318731
4-[(6-chloropyridazin-3-yl)amino]-3-methoxybutanoic acid
CID 103153775
N-(2-chloro-2-phenylethyl)-6-methoxypyrimidin-4-amine
CID 66317864
3-methoxy-4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136845289
N-ethyl-2-[(6-methoxypyrimidin-4-yl)amino]acetamide
CID 66327427
2-[[(6-ethoxypyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107474919
1-N-(6-methoxypyrimidin-4-yl)-2-methylpropane-1,2-diamine
CID 115303807
2-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66318514

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid (CID 103153890) is 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid is COc1cc(NCC(CC(=O)O)OC)ncn1.
What is the InChIKey of 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid?
The InChIKey is IHWBHHZBOCZGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-16-7(3-10(14)15)5-11-8-4-9(17-2)13-6-12-8/h4,6-7H,3,5H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid?
3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(6-methoxypyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 103153890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).