(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol

C16H19N3O — CID 162630957

IUPAC(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)nc(C)c1C
InChIInChI=1S/C16H19N3O/c1-9-10(2)17-16(18-11(9)3)19-15-13-7-5-4-6-12(13)8-14(15)20/h4-7,14-15,20H,8H2,1-3H3,(H,17,18,19)/t14-,15+/m0/s1
InChIKeyZBNKASRWLUBCTO-LSDHHAIUSA-N
MW269.35 g/mol
LogP2.47
Rot. Bonds2

About (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 162630957) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID162630957
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)nc(C)c1C
InChIInChI=1S/C16H19N3O/c1-9-10(2)17-16(18-11(9)3)19-15-13-7-5-4-6-12(13)8-14(15)20/h4-7,14-15,20H,8H2,1-3H3,(H,17,18,19)/t14-,15+/m0/s1
InChIKeyZBNKASRWLUBCTO-LSDHHAIUSA-N
XLogP2.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

(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
1-[(5,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133489747
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
2-(2,4-dimethylquinolin-3-yl)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)acetamide
CID 111696390
(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 137336251
4-methyl-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
CID 133309901
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 103816966
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide
CID 102739009
6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
CID 133392135

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol (CID 162630957) is (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol is Cc1nc(N[C@@H]2c3ccccc3C[C@@H]2O)nc(C)c1C.
What is the InChIKey of (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is ZBNKASRWLUBCTO-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9-10(2)17-16(18-11(9)3)19-15-13-7-5-4-6-12(13)8-14(15)20/h4-7,14-15,20H,8H2,1-3H3,(H,17,18,19)/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 269.35 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 162630957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).