trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C19H28N4O2S — CID 133495355

IUPACtrans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1sc2nc(CN3CCOCC3)nc(N[C@H]3CCCC[C@@H]3O)c2c1C
InChIInChI=1S/C19H28N4O2S/c1-12-13(2)26-19-17(12)18(20-14-5-3-4-6-15(14)24)21-16(22-19)11-23-7-9-25-10-8-23/h14-15,24H,3-11H2,1-2H3,(H,20,21,22)/t14-,15-/m0/s1
InChIKeyGTRGMRWSVRQCDQ-GJZGRUSLSA-N
MW376.53 g/mol
LogP2.86
Rot. Bonds4

About trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 133495355) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID133495355
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Nametrans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1sc2nc(CN3CCOCC3)nc(N[C@H]3CCCC[C@@H]3O)c2c1C
InChIInChI=1S/C19H28N4O2S/c1-12-13(2)26-19-17(12)18(20-14-5-3-4-6-15(14)24)21-16(22-19)11-23-7-9-25-10-8-23/h14-15,24H,3-11H2,1-2H3,(H,20,21,22)/t14-,15-/m0/s1
InChIKeyGTRGMRWSVRQCDQ-GJZGRUSLSA-N
XLogP2.86
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 133496407
N-cyclopropyl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9281746
N-cyclohex-3-en-1-yl-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133322669
5,6-dimethyl-N-(2-morpholin-4-ylethyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074902
5,6-dimethyl-N-(4-methylphenyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 9103933
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31455573
(2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 94094742
5,6-dimethyl-N-(2-methyl-2-piperidin-1-ylpropyl)-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18083464
5,6-dimethyl-2-(morpholin-4-ylmethyl)-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 31055335
N-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 26455526
N-(2-tert-butylsulfanylethyl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 133275941
N-(1-methoxypropan-2-yl)-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18074914

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 133495355) is trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is Cc1sc2nc(CN3CCOCC3)nc(N[C@H]3CCCC[C@@H]3O)c2c1C.
What is the InChIKey of trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is GTRGMRWSVRQCDQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-12-13(2)26-19-17(12)18(20-14-5-3-4-6-15(14)24)21-16(22-19)11-23-7-9-25-10-8-23/h14-15,24H,3-11H2,1-2H3,(H,20,21,22)/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 376.53 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 133495355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).