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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Related Compounds

2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 162645318
(Thiophen-3-yl)aminopyrimidine
CID 67407208
2-chloro-5-fluoro-N-(2-propan-2-ylsulfonylthiophen-3-yl)pyrimidin-4-amine
CID 145195233
5-chloro-2-N-thiophen-3-yl-4-N-[2-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine
CID 167026380
4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 46174461
2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine
CID 79075912
5-fluoro-2-N-methyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850378
5-fluoro-2-N-propyl-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850379
2-N-ethyl-5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80850459
5-fluoro-4-N-thiophen-3-ylpyrimidine-2,4-diamine
CID 80851344
5-fluoro-2-hydrazinyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80921652
6-N-ethyl-4-N-thiophen-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772405

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).