4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine

C9H15FN4S — CID 80894473

IUPAC4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(SCCN(C)C)n1
InChIInChI=1S/C9H15FN4S/c1-11-9-12-6-7(10)8(13-9)15-5-4-14(2)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyGNQYUBYKIONLAX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.31
Rot. Bonds5

About 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine

4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80894473) has the molecular formula C9H15FN4S and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80894473
Molecular FormulaC9H15FN4S
Molecular Weight230.31 g/mol
Exact Mass230.10
IUPAC Name4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(SCCN(C)C)n1
InChIInChI=1S/C9H15FN4S/c1-11-9-12-6-7(10)8(13-9)15-5-4-14(2)3/h6H,4-5H2,1-3H3,(H,11,12,13)
InChIKeyGNQYUBYKIONLAX-UHFFFAOYSA-N
XLogP1.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80886788
N-ethyl-5-fluoro-4-propylsulfanylpyrimidin-2-amine
CID 80887050
tert-butyl 2-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanylacetate
CID 116688351
5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
N,5-dimethyl-4-propylsulfanylpyrimidin-2-amine
CID 80887439
2-[5-methyl-2-(methylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885145
2-[5-fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885067
4-[2-(diethylamino)ethylsulfanyl]-5-fluoropyrimidin-2-amine
CID 80890818
4-N,4-N-diethyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80767009
4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80893618
4-N,4-N-dibutyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80753683
4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80891170

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine (CID 80894473) is 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(SCCN(C)C)n1.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is GNQYUBYKIONLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4S/c1-11-9-12-6-7(10)8(13-9)15-5-4-14(2)3/h6H,4-5H2,1-3H3,(H,11,12,13).
What are the key properties of 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine?
4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfanyl]-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80894473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).