N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine

C21H20FN7 — CID 175135255

IUPACN,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine
SMILESCCN(CC)c1cnc2ccc(-c3nc(Nc4ccccn4)ncc3F)cc2n1
InChIInChI=1S/C21H20FN7/c1-3-29(4-2)19-13-24-16-9-8-14(11-17(16)26-19)20-15(22)12-25-21(28-20)27-18-7-5-6-10-23-18/h5-13H,3-4H2,1-2H3,(H,23,25,27,28)
InChIKeyHQHZLZYJVNOGPR-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.21
Rot. Bonds6

About N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine

N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine (PubChem CID 175135255) has the molecular formula C21H20FN7 and a molecular weight of 389.44 g/mol. Its IUPAC name is N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine
PubChem CID175135255
Molecular FormulaC21H20FN7
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC NameN,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine
SMILESCCN(CC)c1cnc2ccc(-c3nc(Nc4ccccn4)ncc3F)cc2n1
InChIInChI=1S/C21H20FN7/c1-3-29(4-2)19-13-24-16-9-8-14(11-17(16)26-19)20-15(22)12-25-21(28-20)27-18-7-5-6-10-23-18/h5-13H,3-4H2,1-2H3,(H,23,25,27,28)
InChIKeyHQHZLZYJVNOGPR-UHFFFAOYSA-N
XLogP4.21
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine?
The IUPAC name of N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine (CID 175135255) is N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine.
What is the SMILES notation for N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine?
The canonical SMILES for N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine is CCN(CC)c1cnc2ccc(-c3nc(Nc4ccccn4)ncc3F)cc2n1.
What is the InChIKey of N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine?
The InChIKey is HQHZLZYJVNOGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7/c1-3-29(4-2)19-13-24-16-9-8-14(11-17(16)26-19)20-15(22)12-25-21(28-20)27-18-7-5-6-10-23-18/h5-13H,3-4H2,1-2H3,(H,23,25,27,28).
What are the key properties of N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine?
N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine has a molecular weight of 389.44 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]quinoxalin-2-amine is sourced from PubChem (CID 175135255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).