(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol

C16H15N3OS — CID 137336251

IUPAC(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc(N[C@H]2c3ccccc3C[C@H]2O)c2ccsc2n1
InChIInChI=1S/C16H15N3OS/c1-9-17-15(12-6-7-21-16(12)18-9)19-14-11-5-3-2-4-10(11)8-13(14)20/h2-7,13-14,20H,8H2,1H3,(H,17,18,19)/t13-,14+/m1/s1
InChIKeyCQUBWRLPALMHDE-KGLIPLIRSA-N
MW297.38 g/mol
LogP3.07
Rot. Bonds2

About (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 137336251) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID137336251
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCc1nc(N[C@H]2c3ccccc3C[C@H]2O)c2ccsc2n1
InChIInChI=1S/C16H15N3OS/c1-9-17-15(12-6-7-21-16(12)18-9)19-14-11-5-3-2-4-10(11)8-13(14)20/h2-7,13-14,20H,8H2,1H3,(H,17,18,19)/t13-,14+/m1/s1
InChIKeyCQUBWRLPALMHDE-KGLIPLIRSA-N
XLogP3.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclohexyl-2-methylthieno[2,3-d]pyrimidin-4-amine
CID 2239015
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 47371181
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 64985882
[(3R,4R)-3-hydroxy-4-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-phenylmethanone
CID 135100189
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 178121485
(3S)-N-(2-methylthieno[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 97192622
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (CID 137336251) is (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is Cc1nc(N[C@H]2c3ccccc3C[C@H]2O)c2ccsc2n1.
What is the InChIKey of (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is CQUBWRLPALMHDE-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-9-17-15(12-6-7-21-16(12)18-9)19-14-11-5-3-2-4-10(11)8-13(14)20/h2-7,13-14,20H,8H2,1H3,(H,17,18,19)/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 297.38 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 137336251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).