4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine

C10H11N3O2S — CID 107779481

IUPAC4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine
SMILESCOc1ncnc(Sc2ccoc2C)c1N
InChIInChI=1S/C10H11N3O2S/c1-6-7(3-4-15-6)16-10-8(11)9(14-2)12-5-13-10/h3-5H,11H2,1-2H3
InChIKeyNDRNKWIUESSUSR-UHFFFAOYSA-N
MW237.28 g/mol
LogP2.12
Rot. Bonds3

About 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine

4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine (PubChem CID 107779481) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine.

Molecular Properties

Compound Name4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine
PubChem CID107779481
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine
SMILESCOc1ncnc(Sc2ccoc2C)c1N
InChIInChI=1S/C10H11N3O2S/c1-6-7(3-4-15-6)16-10-8(11)9(14-2)12-5-13-10/h3-5H,11H2,1-2H3
InChIKeyNDRNKWIUESSUSR-UHFFFAOYSA-N
XLogP2.12
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine?
The IUPAC name of 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine (CID 107779481) is 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine.
What is the SMILES notation for 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine?
The canonical SMILES for 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine is COc1ncnc(Sc2ccoc2C)c1N.
What is the InChIKey of 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine?
The InChIKey is NDRNKWIUESSUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-6-7(3-4-15-6)16-10-8(11)9(14-2)12-5-13-10/h3-5H,11H2,1-2H3.
What are the key properties of 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine?
4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine has a molecular weight of 237.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2-methylfuran-3-yl)sulfanylpyrimidin-5-amine is sourced from PubChem (CID 107779481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).