N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine

C10H15FN4S — CID 80764441

IUPACN-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCSCC2)n1
InChIInChI=1S/C10H15FN4S/c1-2-12-10-13-7-8(11)9(14-10)15-3-5-16-6-4-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyHIIUOMWNRPXKCE-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.60
Rot. Bonds3

About N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine

N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine (PubChem CID 80764441) has the molecular formula C10H15FN4S and a molecular weight of 242.32 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
PubChem CID80764441
Molecular FormulaC10H15FN4S
Molecular Weight242.32 g/mol
Exact Mass242.10
IUPAC NameN-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(N2CCSCC2)n1
InChIInChI=1S/C10H15FN4S/c1-2-12-10-13-7-8(11)9(14-10)15-3-5-16-6-4-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyHIIUOMWNRPXKCE-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Fluoro-2-(piperazin-1-yl)pyrimidine
CID 10058158
5-Fluoro-2-(piperidin-1-yl)pyrimidin-4-amine
CID 745185
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
Ethyl(5-fluoro-2-methylthiopyrimidin-4-yl)amine
CID 685637
1-(5-Fluoro-2-(methylthio)pyrimidin-4-yl)piperidin-4-amine
CID 129853729
N~2~-[2-(cyclohexylthio)ethyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 72845303
N~2~-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-5-fluoro-N~4~-methylpyrimidine-2,4-diamine
CID 122561097
N~2~-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-N~4~,N~4~-dimethylpyrimidine-2,4-diamine
CID 132409671
2-N-[(3S)-1,1-dioxothiolan-3-yl]-5-fluoro-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 164640661
5-fluoro-4-N-methyl-2-N-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrimidine-2,4-diamine
CID 171359425
5-Fluoro-2-piperazin-1-ylpyrimidin-4-amine
CID 18328119
5-fluoro-N-methyl-2-(methylthio)pyrimidin-4-amine
CID 21077592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine (CID 80764441) is N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine is CCNc1ncc(F)c(N2CCSCC2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine?
The InChIKey is HIIUOMWNRPXKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4S/c1-2-12-10-13-7-8(11)9(14-10)15-3-5-16-6-4-15/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine has a molecular weight of 242.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-thiomorpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 80764441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).