(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol

C14H14BrN3O — CID 58583415

IUPAC(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)cnc1Br
InChIInChI=1S/C14H14BrN3O/c1-8-14(15)16-7-12(17-8)18-13-10-5-3-2-4-9(10)6-11(13)19/h2-5,7,11,13,19H,6H2,1H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyUZYSJNJAFLFCEN-WCQYABFASA-N
MW320.19 g/mol
LogP2.62
Rot. Bonds2

About (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 58583415) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID58583415
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)cnc1Br
InChIInChI=1S/C14H14BrN3O/c1-8-14(15)16-7-12(17-8)18-13-10-5-3-2-4-9(10)6-11(13)19/h2-5,7,11,13,19H,6H2,1H3,(H,17,18)/t11-,13+/m0/s1
InChIKeyUZYSJNJAFLFCEN-WCQYABFASA-N
XLogP2.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 71982317
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 162630957
1-[(5,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133489747
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile
CID 166335295
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
CID 133392135
CID 87586467
CID 87586467
(1R,2S)-1-[[3-bromo-5-(2,4-dichlorophenyl)-6-methylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58583487
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol (CID 58583415) is (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol is Cc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)cnc1Br.
What is the InChIKey of (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is UZYSJNJAFLFCEN-WCQYABFASA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-8-14(15)16-7-12(17-8)18-13-10-5-3-2-4-9(10)6-11(13)19/h2-5,7,11,13,19H,6H2,1H3,(H,17,18)/t11-,13+/m0/s1.
What are the key properties of (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 320.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 58583415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).