N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine

C11H13N3S — CID 62757497

IUPACN-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(-c2cccs2)nc1
InChIInChI=1S/C11H13N3S/c1-2-12-6-9-7-13-11(14-8-9)10-4-3-5-15-10/h3-5,7-8,12H,2,6H2,1H3
InChIKeyXDYJHVSJOLHCQW-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.31
Rot. Bonds4

About N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine

N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 62757497) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID62757497
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine
SMILESCCNCc1cnc(-c2cccs2)nc1
InChIInChI=1S/C11H13N3S/c1-2-12-6-9-7-13-11(14-8-9)10-4-3-5-15-10/h3-5,7-8,12H,2,6H2,1H3
InChIKeyXDYJHVSJOLHCQW-UHFFFAOYSA-N
XLogP2.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine (CID 62757497) is N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine is CCNCc1cnc(-c2cccs2)nc1.
What is the InChIKey of N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is XDYJHVSJOLHCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-12-6-9-7-13-11(14-8-9)10-4-3-5-15-10/h3-5,7-8,12H,2,6H2,1H3.
What are the key properties of N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine?
N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 62757497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).