3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

C10H16N4O3 — CID 136972312

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-2-3-6(4-7(15)16)14-9-8(11)10(17)13-5-12-9/h5-6H,2-4,11H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyBWTZPZDHPXTOJS-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.41
Rot. Bonds6

About 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 136972312) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID136972312
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC(CC(=O)O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-2-3-6(4-7(15)16)14-9-8(11)10(17)13-5-12-9/h5-6H,2-4,11H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyBWTZPZDHPXTOJS-UHFFFAOYSA-N
XLogP0.41
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 136972312) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is CCCC(CC(=O)O)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is BWTZPZDHPXTOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-3-6(4-7(15)16)14-9-8(11)10(17)13-5-12-9/h5-6H,2-4,11H2,1H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.41, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 136972312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).