N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine

C9H14FN3S — CID 80885653

IUPACN-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(SC(C)C)n1
InChIInChI=1S/C9H14FN3S/c1-4-11-9-12-5-7(10)8(13-9)14-6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyDVYXHQMANGUVEF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.55
Rot. Bonds4

About N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine

N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80885653) has the molecular formula C9H14FN3S and a molecular weight of 215.30 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine
PubChem CID80885653
Molecular FormulaC9H14FN3S
Molecular Weight215.30 g/mol
Exact Mass215.09
IUPAC NameN-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(SC(C)C)n1
InChIInChI=1S/C9H14FN3S/c1-4-11-9-12-5-7(10)8(13-9)14-6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyDVYXHQMANGUVEF-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.55
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-propan-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine (CID 80885653) is N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine is CCNc1ncc(F)c(SC(C)C)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is DVYXHQMANGUVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3S/c1-4-11-9-12-5-7(10)8(13-9)14-6(2)3/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-propan-2-ylsulfanylpyrimidin-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.55, 4 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-propan-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80885653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).