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

C17H21N3O — CID 59083163

IUPAC(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCCc1cnc(CC)c(NC2c3ccccc3C[C@@H]2O)n1
InChIInChI=1S/C17H21N3O/c1-3-12-10-18-14(4-2)17(19-12)20-16-13-8-6-5-7-11(13)9-15(16)21/h5-8,10,15-16,21H,3-4,9H2,1-2H3,(H,19,20)/t15-,16?/m0/s1
InChIKeyCYVKOKRRKFNHNW-VYRBHSGPSA-N
MW283.38 g/mol
LogP2.67
Rot. Bonds4

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

(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 59083163) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID59083163
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCCc1cnc(CC)c(NC2c3ccccc3C[C@@H]2O)n1
InChIInChI=1S/C17H21N3O/c1-3-12-10-18-14(4-2)17(19-12)20-16-13-8-6-5-7-11(13)9-15(16)21/h5-8,10,15-16,21H,3-4,9H2,1-2H3,(H,19,20)/t15-,16?/m0/s1
InChIKeyCYVKOKRRKFNHNW-VYRBHSGPSA-N
XLogP2.67
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 58710615
(1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one
CID 142247240
(1S,2R)-1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58583269
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 23593692
(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
5-bromo-3,6-diethyl-N-[(1S,2R)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58631223
5-bromo-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58631224
(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 178121485
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 162630957

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol (CID 59083163) is (2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol is CCc1cnc(CC)c(NC2c3ccccc3C[C@@H]2O)n1.
What is the InChIKey of (2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is CYVKOKRRKFNHNW-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-12-10-18-14(4-2)17(19-12)20-16-13-8-6-5-7-11(13)9-15(16)21/h5-8,10,15-16,21H,3-4,9H2,1-2H3,(H,19,20)/t15-,16?/m0/s1.
What are the key properties of (2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 283.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 59083163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).