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

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

7-[5-fluoro-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-N,N-dimethylquinoxalin-2-amine
CID 166635385
N-cyclopentyl-6-[5-fluoro-2-(pyridin-2-ylamino)pyrimidin-4-yl]-1,3-benzothiazol-2-amine
CID 175095374
4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine
CID 175570054
4-(1,3-benzothiazol-6-yl)-5-methoxy-N-pyridin-2-ylpyrimidin-2-amine
CID 175570155
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-pyridin-2-ylpyrimidin-2-amine
CID 175929946
4-(1,3-benzothiazol-6-yl)-N-[5-(4-ethylpiperazin-1-yl)oxy-2-pyridinyl]-5-fluoropyrimidin-2-amine
CID 170349693
N'-ethyl-N'-quinoxalin-2-ylpropane-1,3-diamine
CID 62358578
N-ethyl-5-fluoro-4-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 113482956
5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]-4-(2-methyl-3-propan-2-ylindazol-5-yl)pyrimidin-2-amine
CID 154666451
N-(cyclopropylmethyl)-N-ethyl-6,7-difluoroquinoxalin-2-amine
CID 133309923
N-ethyl-5-fluoro-4-(3-propylphenyl)pyrimidin-2-amine
CID 116546100
4-(4,4-dimethyl-3H-isoquinolin-6-yl)-5-fluoro-N-[4-(methylsulfonylmethyl)-2-pyridinyl]pyrimidin-2-amine
CID 175742028

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).