2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid

C11H17N3O3 — CID 43470263

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nccc(OC)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-4-5-8(10(15)16)13-11-12-7-6-9(14-11)17-2/h6-8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyUHRSSPBZZDYKAU-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.54
Rot. Bonds7

About 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid

2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid (PubChem CID 43470263) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid
PubChem CID43470263
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nccc(OC)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-4-5-8(10(15)16)13-11-12-7-6-9(14-11)17-2/h6-8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyUHRSSPBZZDYKAU-UHFFFAOYSA-N
XLogP1.54
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid (CID 43470263) is 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid is CCCCC(Nc1nccc(OC)n1)C(=O)O.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid?
The InChIKey is UHRSSPBZZDYKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-5-8(10(15)16)13-11-12-7-6-9(14-11)17-2/h6-8H,3-5H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid?
2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 43470263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).