5,6-diamino-1H-pyrimidine-4-thione

C4H6N4S — CID 1201414

IUPAC5,6-diamino-1H-pyrimidine-4-thione
SMILESNc1[nH]cnc(=S)c1N
InChIInChI=1S/C4H6N4S/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)
InChIKeyLFJKVEOWXYKQGT-UHFFFAOYSA-N
MW142.19 g/mol
LogP0.30
Rot. Bonds

About 5,6-diamino-1H-pyrimidine-4-thione

5,6-diamino-1H-pyrimidine-4-thione (PubChem CID 1201414) has the molecular formula C4H6N4S and a molecular weight of 142.19 g/mol. Its IUPAC name is 5,6-diamino-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-diamino-1H-pyrimidine-4-thione
PubChem CID1201414
Molecular FormulaC4H6N4S
Molecular Weight142.19 g/mol
Exact Mass142.03
IUPAC Name5,6-diamino-1H-pyrimidine-4-thione
SMILESNc1[nH]cnc(=S)c1N
InChIInChI=1S/C4H6N4S/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9)
InChIKeyLFJKVEOWXYKQGT-UHFFFAOYSA-N
XLogP0.30
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.19
LogP ≤ 50.30
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 5,6-diamino-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-diamino-1H-pyrimidine-4-thione (CID 1201414) is 5,6-diamino-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-diamino-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-diamino-1H-pyrimidine-4-thione is Nc1[nH]cnc(=S)c1N.
What is the InChIKey of 5,6-diamino-1H-pyrimidine-4-thione?
The InChIKey is LFJKVEOWXYKQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4S/c5-2-3(6)7-1-8-4(2)9/h1H,5H2,(H3,6,7,8,9).
What are the key properties of 5,6-diamino-1H-pyrimidine-4-thione?
5,6-diamino-1H-pyrimidine-4-thione has a molecular weight of 142.19 g/mol, XLogP of 0.30, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1H-pyrimidine-4-thione is sourced from PubChem (CID 1201414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).