2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol

C12H17N3OS — CID 124739341

IUPAC2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol
SMILESCC[C@H](C)N(CCO)c1ncnc2ccsc12
InChIInChI=1S/C12H17N3OS/c1-3-9(2)15(5-6-16)12-11-10(4-7-17-11)13-8-14-12/h4,7-9,16H,3,5-6H2,1-2H3/t9-/m0/s1
InChIKeySMIGKINJTQTLNX-VIFPVBQESA-N
MW251.35 g/mol
LogP2.29
Rot. Bonds5

About 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol

2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol (PubChem CID 124739341) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol
PubChem CID124739341
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol
SMILESCC[C@H](C)N(CCO)c1ncnc2ccsc12
InChIInChI=1S/C12H17N3OS/c1-3-9(2)15(5-6-16)12-11-10(4-7-17-11)13-8-14-12/h4,7-9,16H,3,5-6H2,1-2H3/t9-/m0/s1
InChIKeySMIGKINJTQTLNX-VIFPVBQESA-N
XLogP2.29
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol?
The IUPAC name of 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol (CID 124739341) is 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol?
The canonical SMILES for 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol is CC[C@H](C)N(CCO)c1ncnc2ccsc12.
What is the InChIKey of 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol?
The InChIKey is SMIGKINJTQTLNX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-9(2)15(5-6-16)12-11-10(4-7-17-11)13-8-14-12/h4,7-9,16H,3,5-6H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol?
2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol has a molecular weight of 251.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]-thieno[3,2-d]pyrimidin-4-ylamino]ethanol is sourced from PubChem (CID 124739341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).