2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine

C11H13N3OS — CID 62269086

IUPAC2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1ccnc(SC(CN)c2ccco2)n1
InChIInChI=1S/C11H13N3OS/c1-8-4-5-13-11(14-8)16-10(7-12)9-3-2-6-15-9/h2-6,10H,7,12H2,1H3
InChIKeyFLEYGJJCZFKODW-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.17
Rot. Bonds4

About 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine

2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine (PubChem CID 62269086) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
PubChem CID62269086
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
SMILESCc1ccnc(SC(CN)c2ccco2)n1
InChIInChI=1S/C11H13N3OS/c1-8-4-5-13-11(14-8)16-10(7-12)9-3-2-6-15-9/h2-6,10H,7,12H2,1H3
InChIKeyFLEYGJJCZFKODW-UHFFFAOYSA-N
XLogP2.17
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine?
The IUPAC name of 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine (CID 62269086) is 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine.
What is the SMILES notation for 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine?
The canonical SMILES for 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine is Cc1ccnc(SC(CN)c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine?
The InChIKey is FLEYGJJCZFKODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-4-5-13-11(14-8)16-10(7-12)9-3-2-6-15-9/h2-6,10H,7,12H2,1H3.
What are the key properties of 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine?
2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine has a molecular weight of 235.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine is sourced from PubChem (CID 62269086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).