4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine

C9H9N3OS — CID 18507652

IUPAC4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
SMILESCSc1cc(-c2ccco2)nc(N)n1
InChIInChI=1S/C9H9N3OS/c1-14-8-5-6(11-9(10)12-8)7-3-2-4-13-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyYMOXQGMFVGIZIQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.04
Rot. Bonds2

About 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine

4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine (PubChem CID 18507652) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
PubChem CID18507652
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine
SMILESCSc1cc(-c2ccco2)nc(N)n1
InChIInChI=1S/C9H9N3OS/c1-14-8-5-6(11-9(10)12-8)7-3-2-4-13-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyYMOXQGMFVGIZIQ-UHFFFAOYSA-N
XLogP2.04
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine?
The IUPAC name of 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine (CID 18507652) is 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine is CSc1cc(-c2ccco2)nc(N)n1.
What is the InChIKey of 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine?
The InChIKey is YMOXQGMFVGIZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-14-8-5-6(11-9(10)12-8)7-3-2-4-13-7/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine?
4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine has a molecular weight of 207.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 18507652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).