1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol

C17H19N3O — CID 22147456

IUPAC1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cnc(C2CC2)c(NC2c3ccccc3CC2O)n1
InChIInChI=1S/C17H19N3O/c1-10-9-18-15(11-6-7-11)17(19-10)20-16-13-5-3-2-4-12(13)8-14(16)21/h2-5,9,11,14,16,21H,6-8H2,1H3,(H,19,20)
InChIKeyWTKUDWBTGKRPGA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.73
Rot. Bonds3

About 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol

1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 22147456) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID22147456
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cnc(C2CC2)c(NC2c3ccccc3CC2O)n1
InChIInChI=1S/C17H19N3O/c1-10-9-18-15(11-6-7-11)17(19-10)20-16-13-5-3-2-4-12(13)8-14(16)21/h2-5,9,11,14,16,21H,6-8H2,1H3,(H,19,20)
InChIKeyWTKUDWBTGKRPGA-UHFFFAOYSA-N
XLogP2.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[6-cyclopropyl-5-(2,4-dichlorophenyl)-3-methylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 59083176
(1R,2S)-1-[[6-cyclopropyl-5-(2,4-dichlorophenyl)-3-methylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58583367
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
(2S)-1-[[3-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-6-ethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 59083146
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163
(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 162630957
(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 178121485
(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 137336251
(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 47371181
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol (CID 22147456) is 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol is Cc1cnc(C2CC2)c(NC2c3ccccc3CC2O)n1.
What is the InChIKey of 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is WTKUDWBTGKRPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-9-18-15(11-6-7-11)17(19-10)20-16-13-5-3-2-4-12(13)8-14(16)21/h2-5,9,11,14,16,21H,6-8H2,1H3,(H,19,20).
What are the key properties of 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 281.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 22147456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).