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

C19H24BrN3 — CID 58631223

IUPAC5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(N[C@@H]2c3ccccc3C[C@H]2CC)c(CC)nc1Br
InChIInChI=1S/C19H24BrN3/c1-4-12-11-13-9-7-8-10-14(13)17(12)23-19-16(6-3)21-18(20)15(5-2)22-19/h7-10,12,17H,4-6,11H2,1-3H3,(H,22,23)/t12-,17+/m1/s1
InChIKeyPKBITZLHJYRBCK-PXAZEXFGSA-N
MW374.33 g/mol
LogP5.10
Rot. Bonds5

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

5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (PubChem CID 58631223) has the molecular formula C19H24BrN3 and a molecular weight of 374.33 g/mol. Its IUPAC name is 5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
PubChem CID58631223
Molecular FormulaC19H24BrN3
Molecular Weight374.33 g/mol
Exact Mass373.12
IUPAC Name5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCc1nc(N[C@@H]2c3ccccc3C[C@H]2CC)c(CC)nc1Br
InChIInChI=1S/C19H24BrN3/c1-4-12-11-13-9-7-8-10-14(13)17(12)23-19-16(6-3)21-18(20)15(5-2)22-19/h7-10,12,17H,4-6,11H2,1-3H3,(H,22,23)/t12-,17+/m1/s1
InChIKeyPKBITZLHJYRBCK-PXAZEXFGSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.33
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-6-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 86588869
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58583381
(1R,2S)-2-ethyl-N-propan-2-yl-2,3-dihydro-1H-inden-1-amine
CID 134490907
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163
2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 68811911
[(1S,2R)-1-[(5-bromo-3,6-diethylpyrazin-2-yl)amino]-1,2,3,4-tetrahydronaphthalen-2-yl] 4-nitrobenzoate
CID 58583380
(1S,2R)-1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58583269
1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 23593692
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58583285
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 10310823
[(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 58710615

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The IUPAC name of 5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (CID 58631223) is 5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is CCc1nc(N[C@@H]2c3ccccc3C[C@H]2CC)c(CC)nc1Br.
What is the InChIKey of 5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The InChIKey is PKBITZLHJYRBCK-PXAZEXFGSA-N. The full InChI is InChI=1S/C19H24BrN3/c1-4-12-11-13-9-7-8-10-14(13)17(12)23-19-16(6-3)21-18(20)15(5-2)22-19/h7-10,12,17H,4-6,11H2,1-3H3,(H,22,23)/t12-,17+/m1/s1.
What are the key properties of 5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine has a molecular weight of 374.33 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is sourced from PubChem (CID 58631223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).