2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid

C10H16N4O3 — CID 177180769

IUPAC2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
SMILESNC(CCCCNc1nccc(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H16N4O3/c11-7(9(16)17)3-1-2-5-12-10-13-6-4-8(15)14-10/h4,6-7H,1-3,5,11H2,(H,16,17)(H2,12,13,14,15)
InChIKeyHEYBPGQHMHIICV-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.24
Rot. Bonds7

About 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid

2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid (PubChem CID 177180769) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
PubChem CID177180769
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
SMILESNC(CCCCNc1nccc(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H16N4O3/c11-7(9(16)17)3-1-2-5-12-10-13-6-4-8(15)14-10/h4,6-7H,1-3,5,11H2,(H,16,17)(H2,12,13,14,15)
InChIKeyHEYBPGQHMHIICV-UHFFFAOYSA-N
XLogP-0.24
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
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 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The IUPAC name of 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid (CID 177180769) is 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid is NC(CCCCNc1nccc(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The InChIKey is HEYBPGQHMHIICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-7(9(16)17)3-1-2-5-12-10-13-6-4-8(15)14-10/h4,6-7H,1-3,5,11H2,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.24, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 177180769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).