2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione

C5H7N3S2 — CID 150371826

IUPAC2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione
SMILESCSc1cc(=S)[nH]c(N)n1
InChIInChI=1S/C5H7N3S2/c1-10-4-2-3(9)7-5(6)8-4/h2H,1H3,(H3,6,7,8,9)
InChIKeyGXWVDRKRQLYHTO-UHFFFAOYSA-N
MW173.27 g/mol
LogP1.44
Rot. Bonds1

About 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione

2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione (PubChem CID 150371826) has the molecular formula C5H7N3S2 and a molecular weight of 173.27 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione
PubChem CID150371826
Molecular FormulaC5H7N3S2
Molecular Weight173.27 g/mol
Exact Mass173.01
IUPAC Name2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione
SMILESCSc1cc(=S)[nH]c(N)n1
InChIInChI=1S/C5H7N3S2/c1-10-4-2-3(9)7-5(6)8-4/h2H,1H3,(H3,6,7,8,9)
InChIKeyGXWVDRKRQLYHTO-UHFFFAOYSA-N
XLogP1.44
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-Pyrimidinedithiol, 2-amino-
CID 3034501
2-(Methylthio)pyrimidine-4(3H)-thione
CID 4542674
2-(methylsulfanyl)-6-sulfanylpyrimidine-4(3H)-thione
CID 3614786
6-(Methylsulfanyl)pyrimidine-4(3H)-thione
CID 71381066
2-Methyl-6-(methylsulfanyl)pyrimidine-4(3H)-thione
CID 13223195
(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl) carbamimidothioate
CID 14893050
[amino-[(2-amino-6-sulfanylidene-1H-pyrimidin-4-yl)sulfanyl]methylidene]azanium chloride
CID 118856227

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione?
The IUPAC name of 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione (CID 150371826) is 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione?
The canonical SMILES for 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione is CSc1cc(=S)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione?
The InChIKey is GXWVDRKRQLYHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S2/c1-10-4-2-3(9)7-5(6)8-4/h2H,1H3,(H3,6,7,8,9).
What are the key properties of 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione?
2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione has a molecular weight of 173.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-1H-pyrimidine-6-thione is sourced from PubChem (CID 150371826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).