6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine

C10H10N4S2 — CID 152655143

IUPAC6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(Sc2ccccn2)n1
InChIInChI=1S/C10H10N4S2/c1-15-9-6-7(11)13-10(14-9)16-8-4-2-3-5-12-8/h2-6H,1H3,(H2,11,13,14)
InChIKeyZIJJJRGYHLEMTN-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.33
Rot. Bonds3

About 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine

6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine (PubChem CID 152655143) has the molecular formula C10H10N4S2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine
PubChem CID152655143
Molecular FormulaC10H10N4S2
Molecular Weight250.35 g/mol
Exact Mass250.03
IUPAC Name6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(Sc2ccccn2)n1
InChIInChI=1S/C10H10N4S2/c1-15-9-6-7(11)13-10(14-9)16-8-4-2-3-5-12-8/h2-6H,1H3,(H2,11,13,14)
InChIKeyZIJJJRGYHLEMTN-UHFFFAOYSA-N
XLogP2.33
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine (CID 152655143) is 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine is CSc1cc(N)nc(Sc2ccccn2)n1.
What is the InChIKey of 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is ZIJJJRGYHLEMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4S2/c1-15-9-6-7(11)13-10(14-9)16-8-4-2-3-5-12-8/h2-6H,1H3,(H2,11,13,14).
What are the key properties of 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine?
6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 250.35 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-pyridin-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 152655143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).