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

C10H16N4O3 — CID 136972345

IUPAC5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-6(3-2-4-7(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)
InChIKeySFJMMRZMPOCOIX-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.41
Rot. Bonds6

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

5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 136972345) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID136972345
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)Nc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O3/c1-6(3-2-4-7(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)
InChIKeySFJMMRZMPOCOIX-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 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 136972345) is 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is CC(CCCC(=O)O)Nc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is SFJMMRZMPOCOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(3-2-4-7(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 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
5-[(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 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 136972345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).