N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine

C13H14FN3O — CID 112754900

IUPACN-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
SMILESCCNc1cnc(-c2cccc(OC)c2F)cn1
InChIInChI=1S/C13H14FN3O/c1-3-15-12-8-16-10(7-17-12)9-5-4-6-11(18-2)13(9)14/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyBCYICNKFTCMFOP-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.72
Rot. Bonds4

About N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine

N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine (PubChem CID 112754900) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
PubChem CID112754900
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
SMILESCCNc1cnc(-c2cccc(OC)c2F)cn1
InChIInChI=1S/C13H14FN3O/c1-3-15-12-8-16-10(7-17-12)9-5-4-6-11(18-2)13(9)14/h4-8H,3H2,1-2H3,(H,15,17)
InChIKeyBCYICNKFTCMFOP-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-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

N-ethyl-6-(2-fluoro-3-methoxyphenyl)pyrimidin-4-amine
CID 82812222
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine
CID 50961650
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82812218
N-ethyl-6-(2-fluoro-3-methoxyphenyl)-5-propylpyrimidin-4-amine
CID 82793042
6-(2-fluoro-3-methoxyphenyl)-N-methylpyridin-2-amine
CID 82812009
5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine
CID 118598397
N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine
CID 118598526
6-(2,3-dimethoxyphenyl)-N-ethylpyridin-2-amine
CID 82795148
5-fluoro-2-(2-fluoro-3-methoxyphenyl)pyridine-4-carbaldehyde
CID 172868912
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 82792824
2-[[3-(2-fluoro-3-methoxyphenyl)-7-(methylamino)-2,6-naphthyridin-1-yl]amino]ethanol
CID 142381014
N-ethyl-5-(4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl)pyrazin-2-amine
CID 141085523

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
The IUPAC name of N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine (CID 112754900) is N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine is CCNc1cnc(-c2cccc(OC)c2F)cn1.
What is the InChIKey of N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
The InChIKey is BCYICNKFTCMFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-3-15-12-8-16-10(7-17-12)9-5-4-6-11(18-2)13(9)14/h4-8H,3H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 112754900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).