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

C10H10FN5S — CID 80889784

IUPACN-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2cnccn2)n1
InChIInChI=1S/C10H10FN5S/c1-2-13-10-15-5-7(11)9(16-10)17-8-6-12-3-4-14-8/h3-6H,2H2,1H3,(H,13,15,16)
InChIKeyNBPRIHMXXJZREY-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.99
Rot. Bonds4

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

N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine (PubChem CID 80889784) has the molecular formula C10H10FN5S and a molecular weight of 251.29 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
PubChem CID80889784
Molecular FormulaC10H10FN5S
Molecular Weight251.29 g/mol
Exact Mass251.06
IUPAC NameN-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine
SMILESCCNc1ncc(F)c(Sc2cnccn2)n1
InChIInChI=1S/C10H10FN5S/c1-2-13-10-15-5-7(11)9(16-10)17-8-6-12-3-4-14-8/h3-6H,2H2,1H3,(H,13,15,16)
InChIKeyNBPRIHMXXJZREY-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

Analyze N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11248001, Example 107
CID 154653523
2-(Pyrazin-2-ylsulfanyl)pyrimidine-4,6-diamine
CID 132278902
5-Fluoro-4-methylsulfanyl-2-piperazin-1-ylpyrimidine
CID 11775950
2-Chloro-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidine
CID 79076732
2-(2-Amino-5-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80885325
2-[5-Fluoro-2-(methylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80885412
2-[5-Fluoro-2-(propylamino)pyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80885779
2-[2-(Ethylamino)-5-fluoropyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80886518
5-Fluoro-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
CID 80886986
5-fluoro-4-(1-methylimidazol-2-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887075
5-fluoro-N-propyl-4-pyrimidin-2-ylsulfanylpyrimidin-2-amine
CID 80887774
N-ethyl-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidin-2-amine
CID 80887853

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine (CID 80889784) is N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine is CCNc1ncc(F)c(Sc2cnccn2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
The InChIKey is NBPRIHMXXJZREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5S/c1-2-13-10-15-5-7(11)9(16-10)17-8-6-12-3-4-14-8/h3-6H,2H2,1H3,(H,13,15,16).
What are the key properties of N-ethyl-5-fluoro-4-pyrazin-2-ylsulfanylpyrimidin-2-amine?
N-ethyl-5-fluoro-4-pyrazin-2-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-pyrazin-2-ylsulfanylpyrimidin-2-amine is sourced from PubChem (CID 80889784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).