2-chloro-N-thiophen-3-ylpyrimidin-4-amine

C8H6ClN3S — CID 66354192

IUPAC2-chloro-N-thiophen-3-ylpyrimidin-4-amine
SMILESClc1nccc(Nc2ccsc2)n1
InChIInChI=1S/C8H6ClN3S/c9-8-10-3-1-7(12-8)11-6-2-4-13-5-6/h1-5H,(H,10,11,12)
InChIKeyUNQRVOABQAKCTD-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.94
Rot. Bonds2

About 2-chloro-N-thiophen-3-ylpyrimidin-4-amine

2-chloro-N-thiophen-3-ylpyrimidin-4-amine (PubChem CID 66354192) has the molecular formula C8H6ClN3S and a molecular weight of 211.68 g/mol. Its IUPAC name is 2-chloro-N-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-thiophen-3-ylpyrimidin-4-amine
PubChem CID66354192
Molecular FormulaC8H6ClN3S
Molecular Weight211.68 g/mol
Exact Mass211.00
IUPAC Name2-chloro-N-thiophen-3-ylpyrimidin-4-amine
SMILESClc1nccc(Nc2ccsc2)n1
InChIInChI=1S/C8H6ClN3S/c9-8-10-3-1-7(12-8)11-6-2-4-13-5-6/h1-5H,(H,10,11,12)
InChIKeyUNQRVOABQAKCTD-UHFFFAOYSA-N
XLogP2.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-thiophen-3-ylpyrimidin-4-amine (CID 66354192) is 2-chloro-N-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-thiophen-3-ylpyrimidin-4-amine is Clc1nccc(Nc2ccsc2)n1.
What is the InChIKey of 2-chloro-N-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is UNQRVOABQAKCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S/c9-8-10-3-1-7(12-8)11-6-2-4-13-5-6/h1-5H,(H,10,11,12).
What are the key properties of 2-chloro-N-thiophen-3-ylpyrimidin-4-amine?
2-chloro-N-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 211.68 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66354192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).