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

C10H10FN5S — CID 80889030

IUPACN-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2ccncn2)n1
InChIInChI=1S/C10H10FN5S/c1-2-13-10-14-5-7(11)9(16-10)17-8-3-4-12-6-15-8/h3-6H,2H2,1H3,(H,13,14,16)
InChIKeyDNLYTMCRJMUBOU-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.99
Rot. Bonds4

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

N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine (PubChem CID 80889030) has the molecular formula C10H10FN5S and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
PubChem CID80889030
Molecular FormulaC10H10FN5S
Molecular Weight251.29 g/mol
Exact Mass251.06
IUPAC NameN-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2ccncn2)n1
InChIInChI=1S/C10H10FN5S/c1-2-13-10-14-5-7(11)9(16-10)17-8-3-4-12-6-15-8/h3-6H,2H2,1H3,(H,13,14,16)
InChIKeyDNLYTMCRJMUBOU-UHFFFAOYSA-N
XLogP1.99
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine (CID 80889030) is N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine is CCNc1ncc(F)c(Sc2ccncn2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
The InChIKey is DNLYTMCRJMUBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5S/c1-2-13-10-14-5-7(11)9(16-10)17-8-3-4-12-6-15-8/h3-6H,2H2,1H3,(H,13,14,16).
What are the key properties of N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80889030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).