2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine

C8H5ClFN3S — CID 79075912

IUPAC2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nc1ccsc1
InChIInChI=1S/C8H5ClFN3S/c9-8-11-3-6(10)7(13-8)12-5-1-2-14-4-5/h1-4H,(H,11,12,13)
InChIKeyFXPYSDJSFIYQHZ-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine

2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine (PubChem CID 79075912) has the molecular formula C8H5ClFN3S and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine
PubChem CID79075912
Molecular FormulaC8H5ClFN3S
Molecular Weight229.67 g/mol
Exact Mass228.99
IUPAC Name2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nc1ccsc1
InChIInChI=1S/C8H5ClFN3S/c9-8-11-3-6(10)7(13-8)12-5-1-2-14-4-5/h1-4H,(H,11,12,13)
InChIKeyFXPYSDJSFIYQHZ-UHFFFAOYSA-N
XLogP3.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.07
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
1-[5-Fluoro-2-(3-methoxypropoxy)pyrimidin-4-yl]-3-thiophen-3-ylurea
CID 57819109
1-(2-But-2-ynoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea
CID 57819120
1-(2-Ethoxy-5-fluoropyrimidin-4-yl)-3-thiophen-3-ylurea
CID 70928629
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-ylmethyl)pyrimidin-4-amine
CID 79075689
2-Chloro-5-fluoro-4-thiophen-2-ylsulfanylpyrimidine
CID 79076727
5-fluoro-2-N-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828035
2-N-ethyl-5-fluoro-4-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 80828601

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine (CID 79075912) is 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine is Fc1cnc(Cl)nc1Nc1ccsc1.
What is the InChIKey of 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is FXPYSDJSFIYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClFN3S/c9-8-11-3-6(10)7(13-8)12-5-1-2-14-4-5/h1-4H,(H,11,12,13).
What are the key properties of 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine?
2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 229.67 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 79075912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).