5-methylsulfanylpyrimidin-2-amine

C5H7N3S — CID 45080487

IUPAC5-methylsulfanylpyrimidin-2-amine
SMILESCSc1cnc(N)nc1
InChIInChI=1S/C5H7N3S/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3,(H2,6,7,8)
InChIKeyWQBNMWSBCOVADX-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.78
Rot. Bonds1

About 5-methylsulfanylpyrimidin-2-amine

5-methylsulfanylpyrimidin-2-amine (PubChem CID 45080487) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 5-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methylsulfanylpyrimidin-2-amine
PubChem CID45080487
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name5-methylsulfanylpyrimidin-2-amine
SMILESCSc1cnc(N)nc1
InChIInChI=1S/C5H7N3S/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3,(H2,6,7,8)
InChIKeyWQBNMWSBCOVADX-UHFFFAOYSA-N
XLogP0.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylpyrimidin-2-amine?
The IUPAC name of 5-methylsulfanylpyrimidin-2-amine (CID 45080487) is 5-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for 5-methylsulfanylpyrimidin-2-amine is CSc1cnc(N)nc1.
What is the InChIKey of 5-methylsulfanylpyrimidin-2-amine?
The InChIKey is WQBNMWSBCOVADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c1-9-4-2-7-5(6)8-3-4/h2-3H,1H3,(H2,6,7,8).
What are the key properties of 5-methylsulfanylpyrimidin-2-amine?
5-methylsulfanylpyrimidin-2-amine has a molecular weight of 141.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 45080487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).