azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate

C5H14N4O5Pt — CID 50912142

IUPACazanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate
SMILESO.O=c1[nH]c(O)[nH+]cc1CO.[NH2-].[NH2-].[OH-].[Pt+2]
InChIInChI=1S/C5H6N2O3.2H2N.2H2O.Pt/c8-2-3-1-6-5(10)7-4(3)9;;;;;/h1,8H,2H2,(H2,6,7,9,10);4*1H2;/q;2*-1;;;+2
InChIKeyCNLNLEJLNKCQQB-UHFFFAOYSA-N
MW405.27 g/mol
LogP-1.18
Rot. Bonds1

About azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate

azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate (PubChem CID 50912142) has the molecular formula C5H14N4O5Pt and a molecular weight of 405.27 g/mol. Its IUPAC name is azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate.

Molecular Properties

Compound Nameazanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate
PubChem CID50912142
Molecular FormulaC5H14N4O5Pt
Molecular Weight405.27 g/mol
Exact Mass405.06
IUPAC Nameazanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate
SMILESO.O=c1[nH]c(O)[nH+]cc1CO.[NH2-].[NH2-].[OH-].[Pt+2]
InChIInChI=1S/C5H6N2O3.2H2N.2H2O.Pt/c8-2-3-1-6-5(10)7-4(3)9;;;;;/h1,8H,2H2,(H2,6,7,9,10);4*1H2;/q;2*-1;;;+2
InChIKeyCNLNLEJLNKCQQB-UHFFFAOYSA-N
XLogP-1.18
TPSA215.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Hydroxymethyl)pyrimidin-4(3H)-one
CID 19690702
2-amino-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 133626288
2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one;ethane
CID 145174008
2-chloro-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 145174009

Frequently Asked Questions

What is the IUPAC name of azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate?
The IUPAC name of azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate (CID 50912142) is azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate.
What is the SMILES notation for azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate?
The canonical SMILES for azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate is O.O=c1[nH]c(O)[nH+]cc1CO.[NH2-].[NH2-].[OH-].[Pt+2].
What is the InChIKey of azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate?
The InChIKey is CNLNLEJLNKCQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3.2H2N.2H2O.Pt/c8-2-3-1-6-5(10)7-4(3)9;;;;;/h1,8H,2H2,(H2,6,7,9,10);4*1H2;/q;2*-1;;;+2.
What are the key properties of azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate?
azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate has a molecular weight of 405.27 g/mol, XLogP of -1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;2-hydroxy-5-(hydroxymethyl)-1H-pyrimidin-3-ium-6-one;platinum(2+);hydroxide;hydrate is sourced from PubChem (CID 50912142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).