4-thiophen-2-ylpyrimidin-2-amine

C8H7N3S — CID 2764407

IUPAC4-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nccc(-c2cccs2)n1
InChIInChI=1S/C8H7N3S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H,(H2,9,10,11)
InChIKeyIXOUSLAWDHODKH-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.79
Rot. Bonds1

About 4-thiophen-2-ylpyrimidin-2-amine

4-thiophen-2-ylpyrimidin-2-amine (PubChem CID 2764407) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 4-thiophen-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-thiophen-2-ylpyrimidin-2-amine
PubChem CID2764407
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name4-thiophen-2-ylpyrimidin-2-amine
SMILESNc1nccc(-c2cccs2)n1
InChIInChI=1S/C8H7N3S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H,(H2,9,10,11)
InChIKeyIXOUSLAWDHODKH-UHFFFAOYSA-N
XLogP1.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-ylpyrimidin-2-amine?
The IUPAC name of 4-thiophen-2-ylpyrimidin-2-amine (CID 2764407) is 4-thiophen-2-ylpyrimidin-2-amine.
What is the SMILES notation for 4-thiophen-2-ylpyrimidin-2-amine?
The canonical SMILES for 4-thiophen-2-ylpyrimidin-2-amine is Nc1nccc(-c2cccs2)n1.
What is the InChIKey of 4-thiophen-2-ylpyrimidin-2-amine?
The InChIKey is IXOUSLAWDHODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c9-8-10-4-3-6(11-8)7-2-1-5-12-7/h1-5H,(H2,9,10,11).
What are the key properties of 4-thiophen-2-ylpyrimidin-2-amine?
4-thiophen-2-ylpyrimidin-2-amine has a molecular weight of 177.23 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-ylpyrimidin-2-amine is sourced from PubChem (CID 2764407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).