2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid

C10H15N3O3 — CID 66317883

IUPAC2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid
SMILESCCOc1cc(NC(CC)C(=O)O)ncn1
InChIInChI=1S/C10H15N3O3/c1-3-7(10(14)15)13-8-5-9(16-4-2)12-6-11-8/h5-7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyQJNWCONKORBPNQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.15
Rot. Bonds6

About 2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid

2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid (PubChem CID 66317883) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid
PubChem CID66317883
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid
SMILESCCOc1cc(NC(CC)C(=O)O)ncn1
InChIInChI=1S/C10H15N3O3/c1-3-7(10(14)15)13-8-5-9(16-4-2)12-6-11-8/h5-7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyQJNWCONKORBPNQ-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-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of 2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid (CID 66317883) is 2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for 2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid is CCOc1cc(NC(CC)C(=O)O)ncn1.
What is the InChIKey of 2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid?
The InChIKey is QJNWCONKORBPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-7(10(14)15)13-8-5-9(16-4-2)12-6-11-8/h5-7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid?
2-[(6-ethoxypyrimidin-4-yl)amino]butanoic 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-[(6-ethoxypyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 66317883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).