N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine

C7H10FN3S — CID 80885849

IUPACN-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(SC)n1
InChIInChI=1S/C7H10FN3S/c1-3-9-7-10-4-5(8)6(11-7)12-2/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyHEQINVQJKWEIPW-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.77
Rot. Bonds3

About N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine

N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine (PubChem CID 80885849) has the molecular formula C7H10FN3S and a molecular weight of 187.24 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine
PubChem CID80885849
Molecular FormulaC7H10FN3S
Molecular Weight187.24 g/mol
Exact Mass187.06
IUPAC NameN-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(SC)n1
InChIInChI=1S/C7H10FN3S/c1-3-9-7-10-4-5(8)6(11-7)12-2/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyHEQINVQJKWEIPW-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine (CID 80885849) is N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine is CCNc1ncc(F)c(SC)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine?
The InChIKey is HEQINVQJKWEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3S/c1-3-9-7-10-4-5(8)6(11-7)12-2/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine has a molecular weight of 187.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-methylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80885849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).