5-amino-6-(methylamino)-1H-pyrimidine-4-thione

C5H8N4S — CID 761453

IUPAC5-amino-6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1[nH]cnc(=S)c1N
InChIInChI=1S/C5H8N4S/c1-7-4-3(6)5(10)9-2-8-4/h2H,6H2,1H3,(H2,7,8,9,10)
InChIKeyCSRKVKSYIGUWJE-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.76
Rot. Bonds1

About 5-amino-6-(methylamino)-1H-pyrimidine-4-thione

5-amino-6-(methylamino)-1H-pyrimidine-4-thione (PubChem CID 761453) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-amino-6-(methylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-amino-6-(methylamino)-1H-pyrimidine-4-thione
PubChem CID761453
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name5-amino-6-(methylamino)-1H-pyrimidine-4-thione
SMILESCNc1[nH]cnc(=S)c1N
InChIInChI=1S/C5H8N4S/c1-7-4-3(6)5(10)9-2-8-4/h2H,6H2,1H3,(H2,7,8,9,10)
InChIKeyCSRKVKSYIGUWJE-UHFFFAOYSA-N
XLogP0.76
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 5-amino-6-(methylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 5-amino-6-(methylamino)-1H-pyrimidine-4-thione (CID 761453) is 5-amino-6-(methylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-amino-6-(methylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-amino-6-(methylamino)-1H-pyrimidine-4-thione is CNc1[nH]cnc(=S)c1N.
What is the InChIKey of 5-amino-6-(methylamino)-1H-pyrimidine-4-thione?
The InChIKey is CSRKVKSYIGUWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-7-4-3(6)5(10)9-2-8-4/h2H,6H2,1H3,(H2,7,8,9,10).
What are the key properties of 5-amino-6-(methylamino)-1H-pyrimidine-4-thione?
5-amino-6-(methylamino)-1H-pyrimidine-4-thione has a molecular weight of 156.21 g/mol, XLogP of 0.76, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(methylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 761453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).