5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine

C18H17FN4S — CID 90313153

IUPAC5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine
SMILESCC(C)Sc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C18H17FN4S/c1-11(2)24-18-13(4-3-7-21-18)12-5-6-14(15(19)8-12)16-9-23-17(20)10-22-16/h3-11H,1-2H3,(H2,20,23)
InChIKeyGJERLRFFDGPKHA-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.43
Rot. Bonds4

About 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine

5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine (PubChem CID 90313153) has the molecular formula C18H17FN4S and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine
PubChem CID90313153
Molecular FormulaC18H17FN4S
Molecular Weight340.43 g/mol
Exact Mass340.12
IUPAC Name5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine
SMILESCC(C)Sc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C18H17FN4S/c1-11(2)24-18-13(4-3-7-21-18)12-5-6-14(15(19)8-12)16-9-23-17(20)10-22-16/h3-11H,1-2H3,(H2,20,23)
InChIKeyGJERLRFFDGPKHA-UHFFFAOYSA-N
XLogP4.43
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine (CID 90313153) is 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine is CC(C)Sc1ncccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine?
The InChIKey is GJERLRFFDGPKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4S/c1-11(2)24-18-13(4-3-7-21-18)12-5-6-14(15(19)8-12)16-9-23-17(20)10-22-16/h3-11H,1-2H3,(H2,20,23).
What are the key properties of 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine?
5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine has a molecular weight of 340.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-propan-2-ylsulfanyl-3-pyridinyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 90313153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).