6-amino-1,5-dihydroxypyrimidin-2-one

C4H5N3O3 — CID 139880869

IUPAC6-amino-1,5-dihydroxypyrimidin-2-one
SMILESNc1c(O)cnc(=O)n1O
InChIInChI=1S/C4H5N3O3/c5-3-2(8)1-6-4(9)7(3)10/h1,8,10H,5H2
InChIKeyUYXIAKKIZCOLDY-UHFFFAOYSA-N
MW143.10 g/mol
LogP-1.23
Rot. Bonds

About 6-amino-1,5-dihydroxypyrimidin-2-one

6-amino-1,5-dihydroxypyrimidin-2-one (PubChem CID 139880869) has the molecular formula C4H5N3O3 and a molecular weight of 143.10 g/mol. Its IUPAC name is 6-amino-1,5-dihydroxypyrimidin-2-one.

Molecular Properties

Compound Name6-amino-1,5-dihydroxypyrimidin-2-one
PubChem CID139880869
Molecular FormulaC4H5N3O3
Molecular Weight143.10 g/mol
Exact Mass143.03
IUPAC Name6-amino-1,5-dihydroxypyrimidin-2-one
SMILESNc1c(O)cnc(=O)n1O
InChIInChI=1S/C4H5N3O3/c5-3-2(8)1-6-4(9)7(3)10/h1,8,10H,5H2
InChIKeyUYXIAKKIZCOLDY-UHFFFAOYSA-N
XLogP-1.23
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.10
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-Amino-5-hydroxy-2(1H)-pyrimidinone
CID 3014752
6-Amino-5-fluoro-1-hydroxypyrimidin-2-one
CID 55287775
6-Amino-5-hydroxy-1-sulfanylpyrimidin-2-one
CID 141205075
5-hydroxy-6-nitro-1H-pyrimidin-2-one
CID 174442616
5-hydroxy-6-(hydroxyamino)-1H-pyrimidin-2-one
CID 177734723
6-amino-5-hydroxy-(213C,1,3-14N2)1H-pyrimidin-2-one
CID 10486867
6-amino-5-hydroperoxy-1H-pyrimidin-2-one
CID 55289441
5-Hydroxycytosine-13C,15N2
CID 131668106

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,5-dihydroxypyrimidin-2-one?
The IUPAC name of 6-amino-1,5-dihydroxypyrimidin-2-one (CID 139880869) is 6-amino-1,5-dihydroxypyrimidin-2-one.
What is the SMILES notation for 6-amino-1,5-dihydroxypyrimidin-2-one?
The canonical SMILES for 6-amino-1,5-dihydroxypyrimidin-2-one is Nc1c(O)cnc(=O)n1O.
What is the InChIKey of 6-amino-1,5-dihydroxypyrimidin-2-one?
The InChIKey is UYXIAKKIZCOLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O3/c5-3-2(8)1-6-4(9)7(3)10/h1,8,10H,5H2.
What are the key properties of 6-amino-1,5-dihydroxypyrimidin-2-one?
6-amino-1,5-dihydroxypyrimidin-2-one has a molecular weight of 143.10 g/mol, XLogP of -1.23, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,5-dihydroxypyrimidin-2-one is sourced from PubChem (CID 139880869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).