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

C10H15N3O3 — CID 43631355

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccc(OC)n1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-4-7(9(14)15)12-10-11-6-5-8(13-10)16-2/h5-7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyUMLUHNRRZCXANV-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.15
Rot. Bonds6

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

2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid (PubChem CID 43631355) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid
PubChem CID43631355
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccc(OC)n1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-4-7(9(14)15)12-10-11-6-5-8(13-10)16-2/h5-7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyUMLUHNRRZCXANV-UHFFFAOYSA-N
XLogP1.15
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.15
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]pentanoic acid?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid (CID 43631355) is 2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid is CCCC(Nc1nccc(OC)n1)C(=O)O.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is UMLUHNRRZCXANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-4-7(9(14)15)12-10-11-6-5-8(13-10)16-2/h5-7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid?
2-[(4-methoxypyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 1.15, 6 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]pentanoic acid is sourced from PubChem (CID 43631355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).