2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione

C5H7N3S2 — CID 139949444

IUPAC2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione
SMILESCNc1nc(S)cc(=S)[nH]1
InChIInChI=1S/C5H7N3S2/c1-6-5-7-3(9)2-4(10)8-5/h2H,1H3,(H3,6,7,8,9,10)
InChIKeyZVIZETYFMODXCR-UHFFFAOYSA-N
MW173.27 g/mol
LogP1.47
Rot. Bonds1

About 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione

2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione (PubChem CID 139949444) has the molecular formula C5H7N3S2 and a molecular weight of 173.27 g/mol. Its IUPAC name is 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione
PubChem CID139949444
Molecular FormulaC5H7N3S2
Molecular Weight173.27 g/mol
Exact Mass173.01
IUPAC Name2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione
SMILESCNc1nc(S)cc(=S)[nH]1
InChIInChI=1S/C5H7N3S2/c1-6-5-7-3(9)2-4(10)8-5/h2H,1H3,(H3,6,7,8,9,10)
InChIKeyZVIZETYFMODXCR-UHFFFAOYSA-N
XLogP1.47
TPSA40.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4,6-Pyrimidinedithiol, 2-amino-
CID 3034501
4,6-Pyrimidinedithiol
CID 3971124
2-(dimethylamino)-4-sulfanyl-1H-pyrimidine-6-thione
CID 53637536
2-(methylamino)-1H-pyrimidine-6-thione
CID 141165945
2-(methylamino)-5-sulfanyl-1H-pyrimidine-6-thione
CID 177977744

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione?
The IUPAC name of 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione (CID 139949444) is 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione is CNc1nc(S)cc(=S)[nH]1.
What is the InChIKey of 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione?
The InChIKey is ZVIZETYFMODXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S2/c1-6-5-7-3(9)2-4(10)8-5/h2H,1H3,(H3,6,7,8,9,10).
What are the key properties of 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione?
2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione has a molecular weight of 173.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-sulfanyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 139949444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).