5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine

C17H13ClFN3O — CID 90310741

IUPAC5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine
SMILESNc1cnc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cn1
InChIInChI=1S/C17H13ClFN3O/c18-13-7-6-12(14-8-22-15(20)9-21-14)16(19)17(13)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,22)
InChIKeyCEBHCXZEPMARMC-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.10
Rot. Bonds4

About 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine

5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine (PubChem CID 90310741) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine
PubChem CID90310741
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC Name5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine
SMILESNc1cnc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cn1
InChIInChI=1S/C17H13ClFN3O/c18-13-7-6-12(14-8-22-15(20)9-21-14)16(19)17(13)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,22)
InChIKeyCEBHCXZEPMARMC-UHFFFAOYSA-N
XLogP4.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine (CID 90310741) is 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine is Nc1cnc(-c2ccc(Cl)c(OCc3ccccc3)c2F)cn1.
What is the InChIKey of 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine?
The InChIKey is CEBHCXZEPMARMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c18-13-7-6-12(14-8-22-15(20)9-21-14)16(19)17(13)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,20,22).
What are the key properties of 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine?
5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine has a molecular weight of 329.76 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluoro-3-phenylmethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 90310741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).