1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine

C12H15N3OS — CID 62267140

IUPAC1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCc1ccnc(SC(c2ccco2)C(C)N)n1
InChIInChI=1S/C12H15N3OS/c1-8-5-6-14-12(15-8)17-11(9(2)13)10-4-3-7-16-10/h3-7,9,11H,13H2,1-2H3
InChIKeyZMOHVHYYDJNKRY-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.56
Rot. Bonds4

About 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine

1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine (PubChem CID 62267140) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
PubChem CID62267140
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCc1ccnc(SC(c2ccco2)C(C)N)n1
InChIInChI=1S/C12H15N3OS/c1-8-5-6-14-12(15-8)17-11(9(2)13)10-4-3-7-16-10/h3-7,9,11H,13H2,1-2H3
InChIKeyZMOHVHYYDJNKRY-UHFFFAOYSA-N
XLogP2.56
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine (CID 62267140) is 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine is Cc1ccnc(SC(c2ccco2)C(C)N)n1.
What is the InChIKey of 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
The InChIKey is ZMOHVHYYDJNKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8-5-6-14-12(15-8)17-11(9(2)13)10-4-3-7-16-10/h3-7,9,11H,13H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine?
1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 62267140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).