2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

C9H8ClFN4S — CID 79075800

IUPAC2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1F)c1nccs1
InChIInChI=1S/C9H8ClFN4S/c1-5(8-12-2-3-16-8)14-7-6(11)4-13-9(10)15-7/h2-5H,1H3,(H,13,14,15)
InChIKeyNIIMDAJNGZCCSJ-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 79075800) has the molecular formula C9H8ClFN4S and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID79075800
Molecular FormulaC9H8ClFN4S
Molecular Weight258.71 g/mol
Exact Mass258.01
IUPAC Name2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1F)c1nccs1
InChIInChI=1S/C9H8ClFN4S/c1-5(8-12-2-3-16-8)14-7-6(11)4-13-9(10)15-7/h2-5H,1H3,(H,13,14,15)
InChIKeyNIIMDAJNGZCCSJ-UHFFFAOYSA-N
XLogP2.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-methylthiazol-2-yl)pyrazine-2,6-diamine
CID 25171662
5-chloro-2-N-(3-methylbutan-2-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-2,4-diamine
CID 49830728
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72936462
5-chloro-4-N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]pyrimidine-4,6-diamine
CID 100649053
5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 164637491
5-Fluoro-4-hydrazino-2-methyl-6-[(1,3-thiazol-2-ylmethyl)amino]pyrimidine
CID 66935899
2-chloro-5-fluoro-6-[(1,3-thiazol-2-ylmethyl)amino]-4(1H)-pyrimidinone hydrazone
CID 66936123
5-fluoro-6-hydrazino-N-methyl-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 66936247
2-chloro-5-fluoro-6-hydrazino-N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637003
6-chloro-5-fluoro-N-methyl-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637012
6-chloro-5-fluoro-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637013
5-fluoro-2-(methylthio)-6-[(1,3-thiazol-2-ylmethyl)amino]-4(1H)-pyrimidinone hydrazone
CID 86637014

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 79075800) is 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is CC(Nc1nc(Cl)ncc1F)c1nccs1.
What is the InChIKey of 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is NIIMDAJNGZCCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4S/c1-5(8-12-2-3-16-8)14-7-6(11)4-13-9(10)15-7/h2-5H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79075800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).