N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine

C15H16F3N3O2 — CID 133484959

IUPACN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(NCc2c(F)cccc2OC(F)F)n1
InChIInChI=1S/C15H16F3N3O2/c1-9(2)22-14-8-19-7-13(21-14)20-6-10-11(16)4-3-5-12(10)23-15(17)18/h3-5,7-9,15H,6H2,1-2H3,(H,20,21)
InChIKeyPZBLVRRBFDPYKT-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.62
Rot. Bonds7

About N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine

N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine (PubChem CID 133484959) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine
PubChem CID133484959
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine
SMILESCC(C)Oc1cncc(NCc2c(F)cccc2OC(F)F)n1
InChIInChI=1S/C15H16F3N3O2/c1-9(2)22-14-8-19-7-13(21-14)20-6-10-11(16)4-3-5-12(10)23-15(17)18/h3-5,7-9,15H,6H2,1-2H3,(H,20,21)
InChIKeyPZBLVRRBFDPYKT-UHFFFAOYSA-N
XLogP3.62
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
CID 133484788
N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-6-propan-2-yloxypyrazin-2-amine
CID 133484985
1-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111509604
2-ethyl-1-N-(6-propan-2-yloxypyrazin-2-yl)butane-1,2-diamine
CID 115306323
(1S)-2-[(6-propan-2-yloxypyrazin-2-yl)amino]-1-pyridin-4-ylethanol
CID 99621227
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-propan-2-yloxypyrazin-2-amine
CID 133484072
N-[2-(2-chloroethyl)pentyl]-6-propan-2-yloxypyrazin-2-amine
CID 106117265
N-(2-chloro-3-methoxypropyl)-6-propan-2-yloxypyrazin-2-amine
CID 65027123
6-[[2-(difluoromethoxy)phenyl]methylamino]pyrazine-2-carboxamide
CID 133370007
N-(1-chloro-2-phenylpropan-2-yl)-6-propan-2-yloxypyrazin-2-amine
CID 105059555
2,4-dimethyl-2-N-(6-propan-2-yloxypyrazin-2-yl)pentane-1,2-diamine
CID 115310276
3-methyl-2-[[(6-propan-2-yloxypyrazin-2-yl)amino]methyl]butanoic acid
CID 65226992

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine (CID 133484959) is N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine is CC(C)Oc1cncc(NCc2c(F)cccc2OC(F)F)n1.
What is the InChIKey of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine?
The InChIKey is PZBLVRRBFDPYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-9(2)22-14-8-19-7-13(21-14)20-6-10-11(16)4-3-5-12(10)23-15(17)18/h3-5,7-9,15H,6H2,1-2H3,(H,20,21).
What are the key properties of N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine?
N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine has a molecular weight of 327.31 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-6-propan-2-yloxypyrazin-2-amine is sourced from PubChem (CID 133484959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).