5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

C20H26BrN3O — CID 86588869

IUPAC5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(N[C@@H]2c3cc(OC)ccc3C[C@@H]2CC)c(CC)nc1Br
InChIInChI=1S/C20H26BrN3O/c1-5-12-10-13-8-9-14(25-4)11-15(13)18(12)24-20-17(7-3)22-19(21)16(6-2)23-20/h8-9,11-12,18H,5-7,10H2,1-4H3,(H,23,24)/t12-,18-/m0/s1
InChIKeyYIMSNDINRFVVAP-SGTLLEGYSA-N
MW404.35 g/mol
LogP5.11
Rot. Bonds6

About 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (PubChem CID 86588869) has the molecular formula C20H26BrN3O and a molecular weight of 404.35 g/mol. Its IUPAC name is 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
PubChem CID86588869
Molecular FormulaC20H26BrN3O
Molecular Weight404.35 g/mol
Exact Mass403.13
IUPAC Name5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(N[C@@H]2c3cc(OC)ccc3C[C@@H]2CC)c(CC)nc1Br
InChIInChI=1S/C20H26BrN3O/c1-5-12-10-13-8-9-14(25-4)11-15(13)18(12)24-20-17(7-3)22-19(21)16(6-2)23-20/h8-9,11-12,18H,5-7,10H2,1-4H3,(H,23,24)/t12-,18-/m0/s1
InChIKeyYIMSNDINRFVVAP-SGTLLEGYSA-N
XLogP5.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.35
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58631224
5-(2,4-dichlorophenyl)-3,6-diethyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrazin-2-amine
CID 10127588
3,6-diethyl-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyrazin-2-amine
CID 22147440
[1-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] 2-(methylamino)acetate
CID 22147318
1-[(1R)-3-ethyl-7-methoxy-1-propyl-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidine
CID 166876959
(1R,2S,3S)-3-ethyl-7-methoxy-N,1-dimethyl-1-propyl-3,4-dihydro-2H-naphthalen-2-amine
CID 167018873
N-ethyl-2-ethylsulfanyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79368198
2-N-cyclopentyl-1-N-ethyl-6-methoxy-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79370507
N-ethyl-6-methoxy-2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 79374745
6-methoxy-2-(2-methylbutan-2-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 79371150
1-N-ethyl-6-methoxy-2-N-methyl-2-N-propyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79375098
(1S,2R)-2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 129404140

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The IUPAC name of 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (CID 86588869) is 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is CCc1nc(N[C@@H]2c3cc(OC)ccc3C[C@@H]2CC)c(CC)nc1Br.
What is the InChIKey of 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The InChIKey is YIMSNDINRFVVAP-SGTLLEGYSA-N. The full InChI is InChI=1S/C20H26BrN3O/c1-5-12-10-13-8-9-14(25-4)11-15(13)18(12)24-20-17(7-3)22-19(21)16(6-2)23-20/h8-9,11-12,18H,5-7,10H2,1-4H3,(H,23,24)/t12-,18-/m0/s1.
What are the key properties of 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine has a molecular weight of 404.35 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is sourced from PubChem (CID 86588869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).