N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine

C20H18FN3 — CID 118598526

IUPACN-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine
SMILESFc1c(-c2ccccc2)cccc1-c1cnc(NCC2CC2)cn1
InChIInChI=1S/C20H18FN3/c21-20-16(15-5-2-1-3-6-15)7-4-8-17(20)18-12-24-19(13-22-18)23-11-14-9-10-14/h1-8,12-14H,9-11H2,(H,23,24)
InChIKeyANKZUZFUZWQIDO-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.77
Rot. Bonds5

About N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine

N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine (PubChem CID 118598526) has the molecular formula C20H18FN3 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine
PubChem CID118598526
Molecular FormulaC20H18FN3
Molecular Weight319.38 g/mol
Exact Mass319.15
IUPAC NameN-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine
SMILESFc1c(-c2ccccc2)cccc1-c1cnc(NCC2CC2)cn1
InChIInChI=1S/C20H18FN3/c21-20-16(15-5-2-1-3-6-15)7-4-8-17(20)18-12-24-19(13-22-18)23-11-14-9-10-14/h1-8,12-14H,9-11H2,(H,23,24)
InChIKeyANKZUZFUZWQIDO-UHFFFAOYSA-N
XLogP4.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine (CID 118598526) is N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine is Fc1c(-c2ccccc2)cccc1-c1cnc(NCC2CC2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine?
The InChIKey is ANKZUZFUZWQIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3/c21-20-16(15-5-2-1-3-6-15)7-4-8-17(20)18-12-24-19(13-22-18)23-11-14-9-10-14/h1-8,12-14H,9-11H2,(H,23,24).
What are the key properties of N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine?
N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine has a molecular weight of 319.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine is sourced from PubChem (CID 118598526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).