5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine

C22H23FN4O — CID 90318865

IUPAC5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3OC3CCC(N)CC3)cc2F)cn1
InChIInChI=1S/C22H23FN4O/c23-19-11-14(5-10-18(19)20-12-27-22(25)13-26-20)17-3-1-2-4-21(17)28-16-8-6-15(24)7-9-16/h1-5,10-13,15-16H,6-9,24H2,(H2,25,27)
InChIKeyDMHMVCICEMOYEI-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.18
Rot. Bonds4

About 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine

5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine (PubChem CID 90318865) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine
PubChem CID90318865
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3OC3CCC(N)CC3)cc2F)cn1
InChIInChI=1S/C22H23FN4O/c23-19-11-14(5-10-18(19)20-12-27-22(25)13-26-20)17-3-1-2-4-21(17)28-16-8-6-15(24)7-9-16/h1-5,10-13,15-16H,6-9,24H2,(H2,25,27)
InChIKeyDMHMVCICEMOYEI-UHFFFAOYSA-N
XLogP4.18
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine (CID 90318865) is 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3OC3CCC(N)CC3)cc2F)cn1.
What is the InChIKey of 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is DMHMVCICEMOYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-19-11-14(5-10-18(19)20-12-27-22(25)13-26-20)17-3-1-2-4-21(17)28-16-8-6-15(24)7-9-16/h1-5,10-13,15-16H,6-9,24H2,(H2,25,27).
What are the key properties of 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine?
5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 378.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-aminocyclohexyl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 90318865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).