(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol

C15H13N3OS — CID 47371181

IUPAC(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2ccsc12
InChIInChI=1S/C15H13N3OS/c19-12-7-9-3-1-2-4-10(9)13(12)18-15-14-11(5-6-20-14)16-8-17-15/h1-6,8,12-13,19H,7H2,(H,16,17,18)/t12-,13+/m0/s1
InChIKeyHWBHWRZSUOWUFF-QWHCGFSZSA-N
MW283.36 g/mol
LogP2.76
Rot. Bonds2

About (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol

(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol (PubChem CID 47371181) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
PubChem CID47371181
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2ccsc12
InChIInChI=1S/C15H13N3OS/c19-12-7-9-3-1-2-4-10(9)13(12)18-15-14-11(5-6-20-14)16-8-17-15/h1-6,8,12-13,19H,7H2,(H,16,17,18)/t12-,13+/m0/s1
InChIKeyHWBHWRZSUOWUFF-QWHCGFSZSA-N
XLogP2.76
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 167801808
(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
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
2-[(thieno[3,2-d]pyrimidin-4-ylamino)methyl]phenol
CID 113228774
N-(3,3-dimethylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 115880973
N-(3-methylsulfanylcyclopentyl)thieno[3,2-d]pyrimidin-4-amine
CID 113244147
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
N-phenyl-2-[4-(thieno[3,2-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 24623746
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol (CID 47371181) is (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2ccsc12.
What is the InChIKey of (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is HWBHWRZSUOWUFF-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-12-7-9-3-1-2-4-10(9)13(12)18-15-14-11(5-6-20-14)16-8-17-15/h1-6,8,12-13,19H,7H2,(H,16,17,18)/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 283.36 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 47371181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).