3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine

C13H13F2N3O2 — CID 115914318

IUPAC3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
SMILESCCOc1cc(-c2nccnc2N)ccc1OC(F)F
InChIInChI=1S/C13H13F2N3O2/c1-2-19-10-7-8(3-4-9(10)20-13(14)15)11-12(16)18-6-5-17-11/h3-7,13H,2H2,1H3,(H2,16,18)
InChIKeyNXNDHMQSBFPLRR-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.73
Rot. Bonds5

About 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine

3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine (PubChem CID 115914318) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
PubChem CID115914318
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
SMILESCCOc1cc(-c2nccnc2N)ccc1OC(F)F
InChIInChI=1S/C13H13F2N3O2/c1-2-19-10-7-8(3-4-9(10)20-13(14)15)11-12(16)18-6-5-17-11/h3-7,13H,2H2,1H3,(H2,16,18)
InChIKeyNXNDHMQSBFPLRR-UHFFFAOYSA-N
XLogP2.73
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylimidazole-1,5-diamine
CID 62482978
[2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidin-4-yl]hydrazine
CID 62251868
3-[4-(difluoromethoxy)phenyl]pyrazin-2-amine
CID 112559134
4-chloro-2-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrimidine
CID 43654747
6-[4-(difluoromethoxy)-3-ethoxyphenyl]-5-methyl-4,5-dihydropyridazin-3-amine
CID 64690125
[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
CID 68547360
3,5-dichloro-6-(3,4-diethoxyphenyl)pyridin-2-amine
CID 102753063
3-(3-bromo-4-methoxyphenyl)pyrazin-2-amine
CID 112559163
2-[(4-chlorophenyl)methyl]-5-[4-(difluoromethoxy)-3-ethoxyphenyl]-1,3,4-oxadiazole
CID 19552698
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]pyrazin-2-amine
CID 106679000
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium
CID 11935921

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine?
The IUPAC name of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine (CID 115914318) is 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine.
What is the SMILES notation for 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine?
The canonical SMILES for 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine is CCOc1cc(-c2nccnc2N)ccc1OC(F)F.
What is the InChIKey of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine?
The InChIKey is NXNDHMQSBFPLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c1-2-19-10-7-8(3-4-9(10)20-13(14)15)11-12(16)18-6-5-17-11/h3-7,13H,2H2,1H3,(H2,16,18).
What are the key properties of 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine?
3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine has a molecular weight of 281.26 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine is sourced from PubChem (CID 115914318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).