6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine

C13H20FN3S — CID 103880316

IUPAC6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine
SMILESCCSC1CCCC1Nc1ncnc(CC)c1F
InChIInChI=1S/C13H20FN3S/c1-3-9-12(14)13(16-8-15-9)17-10-6-5-7-11(10)18-4-2/h8,10-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyHTAKGPFUAMBXDF-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.26
Rot. Bonds5

About 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine

6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine (PubChem CID 103880316) has the molecular formula C13H20FN3S and a molecular weight of 269.39 g/mol. Its IUPAC name is 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine
PubChem CID103880316
Molecular FormulaC13H20FN3S
Molecular Weight269.39 g/mol
Exact Mass269.14
IUPAC Name6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine
SMILESCCSC1CCCC1Nc1ncnc(CC)c1F
InChIInChI=1S/C13H20FN3S/c1-3-9-12(14)13(16-8-15-9)17-10-6-5-7-11(10)18-4-2/h8,10-11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyHTAKGPFUAMBXDF-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-ethylsulfanylcyclopentyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 114122169
[2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 113344395
2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxamide
CID 133419371
N-cyclohex-2-en-1-yl-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419833
N-(6-ethyl-5-fluoropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103879872
5-bromo-4-N-(2-ethylsulfanylcyclopentyl)-2-N-methylpyrimidine-2,4-diamine
CID 114122167
N-(3,5-dimethylcyclohexyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045628
N-(2-ethylsulfanylcyclopentyl)-5-methylpyrimidin-2-amine
CID 103858190
N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045871
6-ethyl-5-fluoro-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]pyrimidin-4-amine
CID 129006905
N-(2-ethylsulfanylcyclopentyl)-4-methylpyrimidin-2-amine
CID 103725083
6-ethyl-5-fluoro-N-(4-piperidin-1-ylcyclohexyl)pyrimidin-4-amine
CID 133418990

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine (CID 103880316) is 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine is CCSC1CCCC1Nc1ncnc(CC)c1F.
What is the InChIKey of 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine?
The InChIKey is HTAKGPFUAMBXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3S/c1-3-9-12(14)13(16-8-15-9)17-10-6-5-7-11(10)18-4-2/h8,10-11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine?
6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-ethylsulfanylcyclopentyl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 103880316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).