(2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol

C12H18N4OS — CID 90467233

IUPAC(2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C12H18N4OS/c1-2-3-4-8(7-17)14-11-10-9(5-6-18-10)15-12(13)16-11/h5-6,8,17H,2-4,7H2,1H3,(H3,13,14,15,16)/t8-/m0/s1
InChIKeyBKSPXAGJNHITIS-QMMMGPOBSA-N
MW266.37 g/mol
LogP2.24
Rot. Bonds6

About (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol

(2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 90467233) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
PubChem CID90467233
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name(2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCC[C@@H](CO)Nc1nc(N)nc2ccsc12
InChIInChI=1S/C12H18N4OS/c1-2-3-4-8(7-17)14-11-10-9(5-6-18-10)15-12(13)16-11/h5-6,8,17H,2-4,7H2,1H3,(H3,13,14,15,16)/t8-/m0/s1
InChIKeyBKSPXAGJNHITIS-QMMMGPOBSA-N
XLogP2.24
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol (CID 90467233) is (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol is CCCC[C@@H](CO)Nc1nc(N)nc2ccsc12.
What is the InChIKey of (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is BKSPXAGJNHITIS-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-2-3-4-8(7-17)14-11-10-9(5-6-18-10)15-12(13)16-11/h5-6,8,17H,2-4,7H2,1H3,(H3,13,14,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol?
(2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminothieno[3,2-d]pyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 90467233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).