sodium 2-aminopyrimidine-5-thiolate

C4H4N3NaS — CID 118996711

IUPACsodium 2-aminopyrimidine-5-thiolate
SMILESNc1ncc([S-])cn1.[Na+]
InChIInChI=1S/C4H5N3S.Na/c5-4-6-1-3(8)2-7-4;/h1-2,8H,(H2,5,6,7);/q;+1/p-1
InChIKeyXUGWBUPNWMEMMZ-UHFFFAOYSA-M
MW149.15 g/mol
LogP-3.03
Rot. Bonds

About sodium 2-aminopyrimidine-5-thiolate

sodium 2-aminopyrimidine-5-thiolate (PubChem CID 118996711) has the molecular formula C4H4N3NaS and a molecular weight of 149.15 g/mol. Its IUPAC name is sodium 2-aminopyrimidine-5-thiolate.

Molecular Properties

Compound Namesodium 2-aminopyrimidine-5-thiolate
PubChem CID118996711
Molecular FormulaC4H4N3NaS
Molecular Weight149.15 g/mol
Exact Mass149.00
IUPAC Namesodium 2-aminopyrimidine-5-thiolate
SMILESNc1ncc([S-])cn1.[Na+]
InChIInChI=1S/C4H5N3S.Na/c5-4-6-1-3(8)2-7-4;/h1-2,8H,(H2,5,6,7);/q;+1/p-1
InChIKeyXUGWBUPNWMEMMZ-UHFFFAOYSA-M
XLogP-3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-3.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

5-methylpyrimidin-2-amine
CID 12999933
cyclopenta[e][1,3]diazepin-3-amine
CID 154328664
N,N-dimethylmethanamine;pyrimidine-2,5-diamine
CID 175245115
5-(iodomethyl)pyrimidin-2-amine
CID 163601218
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
5-N,5-N-dimethylpyrimidine-2,5-diamine
CID 45080264
2-aminopyrimidine-5-carbaldehyde;hydrate
CID 71464028
2-(2-aminopyrimidin-5-yl)propane-2-thiol
CID 123758067
2-aminopyrimidine-5-carboxylic acid
CID 7020367
5-N-hydroperoxypyrimidine-2,5-diamine
CID 154627375
molecular hydrogen;5-(trifluoromethyl)pyrimidin-2-amine
CID 153387486
5-[1,1-bis(phosphanyl)ethyl]pyrimidin-2-amine
CID 170391497

Frequently Asked Questions

What is the IUPAC name of sodium 2-aminopyrimidine-5-thiolate?
The IUPAC name of sodium 2-aminopyrimidine-5-thiolate (CID 118996711) is sodium 2-aminopyrimidine-5-thiolate.
What is the SMILES notation for sodium 2-aminopyrimidine-5-thiolate?
The canonical SMILES for sodium 2-aminopyrimidine-5-thiolate is Nc1ncc([S-])cn1.[Na+].
What is the InChIKey of sodium 2-aminopyrimidine-5-thiolate?
The InChIKey is XUGWBUPNWMEMMZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5N3S.Na/c5-4-6-1-3(8)2-7-4;/h1-2,8H,(H2,5,6,7);/q;+1/p-1.
What are the key properties of sodium 2-aminopyrimidine-5-thiolate?
sodium 2-aminopyrimidine-5-thiolate has a molecular weight of 149.15 g/mol, XLogP of -3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-aminopyrimidine-5-thiolate is sourced from PubChem (CID 118996711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).