sodium;2-amino-1H-pyrimidine-6-thione;hydride

C4H6N3NaS — CID 175285103

IUPACsodium;2-amino-1H-pyrimidine-6-thione;hydride
SMILESNc1nccc(=S)[nH]1.[H-].[Na+]
InChIInChI=1S/C4H5N3S.Na.H/c5-4-6-2-1-3(8)7-4;;/h1-2H,(H3,5,6,7,8);;/q;+1;-1
InChIKeyLMEDGFVLTBNINW-UHFFFAOYSA-N
MW151.17 g/mol
LogP-2.16
Rot. Bonds

About sodium;2-amino-1H-pyrimidine-6-thione;hydride

sodium;2-amino-1H-pyrimidine-6-thione;hydride (PubChem CID 175285103) has the molecular formula C4H6N3NaS and a molecular weight of 151.17 g/mol. Its IUPAC name is sodium;2-amino-1H-pyrimidine-6-thione;hydride.

Molecular Properties

Compound Namesodium;2-amino-1H-pyrimidine-6-thione;hydride
PubChem CID175285103
Molecular FormulaC4H6N3NaS
Molecular Weight151.17 g/mol
Exact Mass151.02
IUPAC Namesodium;2-amino-1H-pyrimidine-6-thione;hydride
SMILESNc1nccc(=S)[nH]1.[H-].[Na+]
InChIInChI=1S/C4H5N3S.Na.H/c5-4-6-2-1-3(8)7-4;;/h1-2H,(H3,5,6,7,8);;/q;+1;-1
InChIKeyLMEDGFVLTBNINW-UHFFFAOYSA-N
XLogP-2.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-2.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-amino-1H-pyrimidine-6-thione;hydride?
The IUPAC name of sodium;2-amino-1H-pyrimidine-6-thione;hydride (CID 175285103) is sodium;2-amino-1H-pyrimidine-6-thione;hydride.
What is the SMILES notation for sodium;2-amino-1H-pyrimidine-6-thione;hydride?
The canonical SMILES for sodium;2-amino-1H-pyrimidine-6-thione;hydride is Nc1nccc(=S)[nH]1.[H-].[Na+].
What is the InChIKey of sodium;2-amino-1H-pyrimidine-6-thione;hydride?
The InChIKey is LMEDGFVLTBNINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3S.Na.H/c5-4-6-2-1-3(8)7-4;;/h1-2H,(H3,5,6,7,8);;/q;+1;-1.
What are the key properties of sodium;2-amino-1H-pyrimidine-6-thione;hydride?
sodium;2-amino-1H-pyrimidine-6-thione;hydride has a molecular weight of 151.17 g/mol, XLogP of -2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-amino-1H-pyrimidine-6-thione;hydride is sourced from PubChem (CID 175285103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).