6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

C10H16N4O3 — CID 135474215

IUPAC6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESNc1nc(NCCCCCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c11-10-13-7(6-8(15)14-10)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,16,17)(H4,11,12,13,14,15)
InChIKeyXCLRPVGFMGBGKZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.41
Rot. Bonds7

About 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 135474215) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID135474215
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESNc1nc(NCCCCCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C10H16N4O3/c11-10-13-7(6-8(15)14-10)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,16,17)(H4,11,12,13,14,15)
InChIKeyXCLRPVGFMGBGKZ-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
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 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 135474215) is 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is Nc1nc(NCCCCCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is XCLRPVGFMGBGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c11-10-13-7(6-8(15)14-10)12-5-3-1-2-4-9(16)17/h6H,1-5H2,(H,16,17)(H4,11,12,13,14,15).
What are the key properties of 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 135474215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).