6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid

C11H17N3O3 — CID 43378923

IUPAC6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid
SMILESCOc1ccnc(NCCCCCC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-17-9-6-8-13-11(14-9)12-7-4-2-3-5-10(15)16/h6,8H,2-5,7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyHKDXYYIBZFZJMV-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.54
Rot. Bonds8

About 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid

6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid (PubChem CID 43378923) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid
PubChem CID43378923
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid
SMILESCOc1ccnc(NCCCCCC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-17-9-6-8-13-11(14-9)12-7-4-2-3-5-10(15)16/h6,8H,2-5,7H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyHKDXYYIBZFZJMV-UHFFFAOYSA-N
XLogP1.54
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid?
The IUPAC name of 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid (CID 43378923) is 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid is COc1ccnc(NCCCCCC(=O)O)n1.
What is the InChIKey of 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid?
The InChIKey is HKDXYYIBZFZJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-17-9-6-8-13-11(14-9)12-7-4-2-3-5-10(15)16/h6,8H,2-5,7H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid?
6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxypyrimidin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 43378923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).