N-thiophen-2-ylpyrimidin-4-amine

C8H7N3S — CID 91562875

IUPACN-thiophen-2-ylpyrimidin-4-amine
SMILESc1csc(Nc2ccncn2)c1
InChIInChI=1S/C8H7N3S/c1-2-8(12-5-1)11-7-3-4-9-6-10-7/h1-6H,(H,9,10,11)
InChIKeyDFGBSVSLOCVDAM-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.28
Rot. Bonds2

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

N-thiophen-2-ylpyrimidin-4-amine (PubChem CID 91562875) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is N-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-thiophen-2-ylpyrimidin-4-amine
PubChem CID91562875
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC NameN-thiophen-2-ylpyrimidin-4-amine
SMILESc1csc(Nc2ccncn2)c1
InChIInChI=1S/C8H7N3S/c1-2-8(12-5-1)11-7-3-4-9-6-10-7/h1-6H,(H,9,10,11)
InChIKeyDFGBSVSLOCVDAM-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-thiophen-2-ylpyrimidin-4-amine (CID 91562875) is N-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-thiophen-2-ylpyrimidin-4-amine is c1csc(Nc2ccncn2)c1.
What is the InChIKey of N-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is DFGBSVSLOCVDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-2-8(12-5-1)11-7-3-4-9-6-10-7/h1-6H,(H,9,10,11).
What are the key properties of N-thiophen-2-ylpyrimidin-4-amine?
N-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 177.23 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 91562875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).