5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid

C9H13N3O5 — CID 13268987

IUPAC5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid
SMILESNc1nc(O)c(CCCC(O)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H13N3O5/c10-9-11-6(14)4(7(15)12-9)2-1-3-5(13)8(16)17/h5,13H,1-3H2,(H,16,17)(H4,10,11,12,14,15)
InChIKeyYFSXPLJQLVWMKD-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.17
Rot. Bonds5

About 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid

5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid (PubChem CID 13268987) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid
PubChem CID13268987
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid
SMILESNc1nc(O)c(CCCC(O)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C9H13N3O5/c10-9-11-6(14)4(7(15)12-9)2-1-3-5(13)8(16)17/h5,13H,1-3H2,(H,16,17)(H4,10,11,12,14,15)
InChIKeyYFSXPLJQLVWMKD-UHFFFAOYSA-N
XLogP-1.17
TPSA149.53 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid?
The IUPAC name of 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid (CID 13268987) is 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid.
What is the SMILES notation for 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid?
The canonical SMILES for 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid is Nc1nc(O)c(CCCC(O)C(=O)O)c(=O)[nH]1.
What is the InChIKey of 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid?
The InChIKey is YFSXPLJQLVWMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c10-9-11-6(14)4(7(15)12-9)2-1-3-5(13)8(16)17/h5,13H,1-3H2,(H,16,17)(H4,10,11,12,14,15).
What are the key properties of 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid?
5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid has a molecular weight of 243.22 g/mol, XLogP of -1.17, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-2-hydroxypentanoic acid is sourced from PubChem (CID 13268987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).