N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine

C13H11N3OS — CID 171989155

IUPACN-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine
SMILESc1coc(CNc2nccc(-c3ccsc3)n2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(17-6-1)8-15-13-14-5-3-12(16-13)10-4-7-18-9-10/h1-7,9H,8H2,(H,14,15,16)
InChIKeyZTOWUBCSMQYKLJ-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.41
Rot. Bonds4

About N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine

N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine (PubChem CID 171989155) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine
PubChem CID171989155
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine
SMILESc1coc(CNc2nccc(-c3ccsc3)n2)c1
InChIInChI=1S/C13H11N3OS/c1-2-11(17-6-1)8-15-13-14-5-3-12(16-13)10-4-7-18-9-10/h1-7,9H,8H2,(H,14,15,16)
InChIKeyZTOWUBCSMQYKLJ-UHFFFAOYSA-N
XLogP3.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine (CID 171989155) is N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine is c1coc(CNc2nccc(-c3ccsc3)n2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine?
The InChIKey is ZTOWUBCSMQYKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-11(17-6-1)8-15-13-14-5-3-12(16-13)10-4-7-18-9-10/h1-7,9H,8H2,(H,14,15,16).
What are the key properties of N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine?
N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine has a molecular weight of 257.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-thiophen-3-ylpyrimidin-2-amine is sourced from PubChem (CID 171989155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).