6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc

C5H7N3O2Zn — CID 175714061

IUPAC6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc
SMILESNc1[nH]c(=O)ncc1CO.[Zn]
InChIInChI=1S/C5H7N3O2.Zn/c6-4-3(2-9)1-7-5(10)8-4;/h1,9H,2H2,(H3,6,7,8,10);
InChIKeyHSYSSZACCNCNHN-UHFFFAOYSA-N
MW206.52 g/mol
LogP-1.16
Rot. Bonds1

About 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc

6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc (PubChem CID 175714061) has the molecular formula C5H7N3O2Zn and a molecular weight of 206.52 g/mol. Its IUPAC name is 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc.

Molecular Properties

Compound Name6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc
PubChem CID175714061
Molecular FormulaC5H7N3O2Zn
Molecular Weight206.52 g/mol
Exact Mass204.98
IUPAC Name6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc
SMILESNc1[nH]c(=O)ncc1CO.[Zn]
InChIInChI=1S/C5H7N3O2.Zn/c6-4-3(2-9)1-7-5(10)8-4;/h1,9H,2H2,(H3,6,7,8,10);
InChIKeyHSYSSZACCNCNHN-UHFFFAOYSA-N
XLogP-1.16
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.52
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc?
The IUPAC name of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc (CID 175714061) is 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc.
What is the SMILES notation for 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc?
The canonical SMILES for 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc is Nc1[nH]c(=O)ncc1CO.[Zn].
What is the InChIKey of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc?
The InChIKey is HSYSSZACCNCNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2.Zn/c6-4-3(2-9)1-7-5(10)8-4;/h1,9H,2H2,(H3,6,7,8,10);.
What are the key properties of 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc?
6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc has a molecular weight of 206.52 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(hydroxymethyl)-1H-pyrimidin-2-one;zinc is sourced from PubChem (CID 175714061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).