N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine

C18H15Cl2FN4 — CID 174713258

IUPACN-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine
SMILESCN(Cc1nccnc1Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C18H15Cl2FN4/c1-25(14-5-2-12(21)3-6-14)11-17-18(23-9-8-22-17)24-13-4-7-15(19)16(20)10-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeyOCYNXCUSRYZJDT-UHFFFAOYSA-N
MW377.25 g/mol
LogP5.30
Rot. Bonds5

About N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine

N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine (PubChem CID 174713258) has the molecular formula C18H15Cl2FN4 and a molecular weight of 377.25 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine
PubChem CID174713258
Molecular FormulaC18H15Cl2FN4
Molecular Weight377.25 g/mol
Exact Mass376.07
IUPAC NameN-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine
SMILESCN(Cc1nccnc1Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C18H15Cl2FN4/c1-25(14-5-2-12(21)3-6-14)11-17-18(23-9-8-22-17)24-13-4-7-15(19)16(20)10-13/h2-10H,11H2,1H3,(H,23,24)
InChIKeyOCYNXCUSRYZJDT-UHFFFAOYSA-N
XLogP5.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.25
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine (CID 174713258) is N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine is CN(Cc1nccnc1Nc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine?
The InChIKey is OCYNXCUSRYZJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4/c1-25(14-5-2-12(21)3-6-14)11-17-18(23-9-8-22-17)24-13-4-7-15(19)16(20)10-13/h2-10H,11H2,1H3,(H,23,24).
What are the key properties of N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine?
N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine has a molecular weight of 377.25 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-3-[(4-fluoro-N-methylanilino)methyl]pyrazin-2-amine is sourced from PubChem (CID 174713258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).