2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine

C25H28F2N2O2 — CID 10180840

IUPAC2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine
SMILESCCc1nc(-c2c(OC)cc(C(F)F)cc2OC)c(CC)nc1-c1cc(C)ccc1C
InChIInChI=1S/C25H28F2N2O2/c1-7-18-23(17-11-14(3)9-10-15(17)4)28-19(8-2)24(29-18)22-20(30-5)12-16(25(26)27)13-21(22)31-6/h9-13,25H,7-8H2,1-6H3
InChIKeyTYYCKFPMBRRBJO-UHFFFAOYSA-N
MW426.51 g/mol
LogP6.51
Rot. Bonds7

About 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine

2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine (PubChem CID 10180840) has the molecular formula C25H28F2N2O2 and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine
PubChem CID10180840
Molecular FormulaC25H28F2N2O2
Molecular Weight426.51 g/mol
Exact Mass426.21
IUPAC Name2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine
SMILESCCc1nc(-c2c(OC)cc(C(F)F)cc2OC)c(CC)nc1-c1cc(C)ccc1C
InChIInChI=1S/C25H28F2N2O2/c1-7-18-23(17-11-14(3)9-10-15(17)4)28-19(8-2)24(29-18)22-20(30-5)12-16(25(26)27)13-21(22)31-6/h9-13,25H,7-8H2,1-6H3
InChIKeyTYYCKFPMBRRBJO-UHFFFAOYSA-N
XLogP6.51
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.51
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-3-methoxy-6-methyl-N-pentan-3-ylpyrazin-2-amine
CID 23595034
4-(2,5-dimethylphenyl)-3-ethyl-1,2-oxazol-5-amine
CID 82078789
4-ethyl-3-(2-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 62505793
2-(2,4-dimethoxyphenyl)-3,6-diethyl-5-(2-methylbutyl)pyrazine
CID 22248949
5-bromo-4-chloro-2-(2,5-dimethylphenyl)-6-ethylpyrimidine
CID 66313424
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 78817284
(1S,2S)-1-[3-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 106789684
1-butan-2-yl-3-(2,5-dimethylphenyl)pyrazole-4-carbaldehyde
CID 61271475
3-(2-methoxy-5-methylphenyl)-4-methyl-1,2-oxazol-5-amine
CID 62505613
2-chloro-4-(2,5-dimethylphenyl)-5-ethyl-1,3-thiazole
CID 131866691
3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-[(3,4-dimethylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 60517006
3,6-diethyl-5-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-N-pentan-3-ylpyrazin-2-amine
CID 22278748

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine?
The IUPAC name of 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine (CID 10180840) is 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine.
What is the SMILES notation for 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine?
The canonical SMILES for 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine is CCc1nc(-c2c(OC)cc(C(F)F)cc2OC)c(CC)nc1-c1cc(C)ccc1C.
What is the InChIKey of 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine?
The InChIKey is TYYCKFPMBRRBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N2O2/c1-7-18-23(17-11-14(3)9-10-15(17)4)28-19(8-2)24(29-18)22-20(30-5)12-16(25(26)27)13-21(22)31-6/h9-13,25H,7-8H2,1-6H3.
What are the key properties of 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine?
2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine has a molecular weight of 426.51 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2,6-dimethoxyphenyl]-5-(2,5-dimethylphenyl)-3,6-diethylpyrazine is sourced from PubChem (CID 10180840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).