2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol

C13H17N3OS — CID 54999108

IUPAC2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCN(c1ncnc2ccsc12)C1CCCC1
InChIInChI=1S/C13H17N3OS/c17-7-6-16(10-3-1-2-4-10)13-12-11(5-8-18-12)14-9-15-13/h5,8-10,17H,1-4,6-7H2
InChIKeyQGVMOWIJVALBGZ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.43
Rot. Bonds4

About 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol

2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 54999108) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol
PubChem CID54999108
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCN(c1ncnc2ccsc12)C1CCCC1
InChIInChI=1S/C13H17N3OS/c17-7-6-16(10-3-1-2-4-10)13-12-11(5-8-18-12)14-9-15-13/h5,8-10,17H,1-4,6-7H2
InChIKeyQGVMOWIJVALBGZ-UHFFFAOYSA-N
XLogP2.43
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 54999057
N-piperidin-3-yl-N-propylthieno[3,2-d]pyrimidin-4-amine
CID 63636486
N-propyl-N-pyrrolidin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 63304405
2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol
CID 65336641
2-[methyl(thieno[3,2-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 102635901
(1R)-2-[cyclopropyl(thieno[3,2-d]pyrimidin-4-yl)amino]-1-(4-fluorophenyl)ethanol
CID 96536411
N-cyclopropyl-N-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-amine
CID 47370805
N'-cyclohexyl-N'-methyl-N-thieno[3,2-d]pyrimidin-4-ylpropane-1,3-diamine
CID 51890557
3-[ethyl(thieno[3,2-d]pyrimidin-4-yl)amino]propan-1-ol
CID 115658654
2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102859630
2-[cyclobutyl(5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethanol
CID 102675231
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol (CID 54999108) is 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol is OCCN(c1ncnc2ccsc12)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is QGVMOWIJVALBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-7-6-16(10-3-1-2-4-10)13-12-11(5-8-18-12)14-9-15-13/h5,8-10,17H,1-4,6-7H2.
What are the key properties of 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol?
2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 263.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 54999108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).