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

C15H17N3O — CID 133447953

IUPAC(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cc(N[C@H]2c3ccccc3C[C@H]2O)nc(C)n1
InChIInChI=1S/C15H17N3O/c1-9-7-14(17-10(2)16-9)18-15-12-6-4-3-5-11(12)8-13(15)19/h3-7,13,15,19H,8H2,1-2H3,(H,16,17,18)/t13-,15+/m1/s1
InChIKeyLSTQRWUNENJMRK-HIFRSBDPSA-N
MW255.32 g/mol
LogP2.16
Rot. Bonds2

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

(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 133447953) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID133447953
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1cc(N[C@H]2c3ccccc3C[C@H]2O)nc(C)n1
InChIInChI=1S/C15H17N3O/c1-9-7-14(17-10(2)16-9)18-15-12-6-4-3-5-11(12)8-13(15)19/h3-7,13,15,19H,8H2,1-2H3,(H,16,17,18)/t13-,15+/m1/s1
InChIKeyLSTQRWUNENJMRK-HIFRSBDPSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyrimidin-4-amine
CID 65028479
1-[(5,6-dimethylpyridazin-3-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133489747
(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
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 136580514
(1R,2S)-1-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 71865388
1-N-(6-methylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63759429
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63761795
(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 137336251
1-(4,6-dimethyl-2-pyridinyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 75523399
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (CID 133447953) is (1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is Cc1cc(N[C@H]2c3ccccc3C[C@H]2O)nc(C)n1.
What is the InChIKey of (1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is LSTQRWUNENJMRK-HIFRSBDPSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-7-14(17-10(2)16-9)18-15-12-6-4-3-5-11(12)8-13(15)19/h3-7,13,15,19H,8H2,1-2H3,(H,16,17,18)/t13-,15+/m1/s1.
What are the key properties of (1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 255.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 133447953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).