5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine

C20H21FN4O2 — CID 123689566

IUPAC5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3=CCC=NC3OC3CCOCC3)cc2F)cn1
InChIInChI=1S/C20H21FN4O2/c21-17-10-13(3-4-16(17)18-11-25-19(22)12-24-18)15-2-1-7-23-20(15)27-14-5-8-26-9-6-14/h2-4,7,10-12,14,20H,1,5-6,8-9H2,(H2,22,25)
InChIKeyBGEOUPAHAKKGSN-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.24
Rot. Bonds4

About 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine

5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine (PubChem CID 123689566) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine
PubChem CID123689566
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3=CCC=NC3OC3CCOCC3)cc2F)cn1
InChIInChI=1S/C20H21FN4O2/c21-17-10-13(3-4-16(17)18-11-25-19(22)12-24-18)15-2-1-7-23-20(15)27-14-5-8-26-9-6-14/h2-4,7,10-12,14,20H,1,5-6,8-9H2,(H2,22,25)
InChIKeyBGEOUPAHAKKGSN-UHFFFAOYSA-N
XLogP3.24
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine (CID 123689566) is 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(C3=CCC=NC3OC3CCOCC3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine?
The InChIKey is BGEOUPAHAKKGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-17-10-13(3-4-16(17)18-11-25-19(22)12-24-18)15-2-1-7-23-20(15)27-14-5-8-26-9-6-14/h2-4,7,10-12,14,20H,1,5-6,8-9H2,(H2,22,25).
What are the key properties of 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine?
5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine has a molecular weight of 368.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-(oxan-4-yloxy)-2,5-dihydropyridin-3-yl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 123689566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).