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

C14H19N3OS — CID 54999057

IUPAC2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCN(c1ncnc2sccc12)C1CCCCC1
InChIInChI=1S/C14H19N3OS/c18-8-7-17(11-4-2-1-3-5-11)13-12-6-9-19-14(12)16-10-15-13/h6,9-11,18H,1-5,7-8H2
InChIKeyGEHCZSHKHAACIK-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.82
Rot. Bonds4

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

2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 54999057) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID54999057
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESOCCN(c1ncnc2sccc12)C1CCCCC1
InChIInChI=1S/C14H19N3OS/c18-8-7-17(11-4-2-1-3-5-11)13-12-6-9-19-14(12)16-10-15-13/h6,9-11,18H,1-5,7-8H2
InChIKeyGEHCZSHKHAACIK-UHFFFAOYSA-N
XLogP2.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 54999057) is 2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol is OCCN(c1ncnc2sccc12)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is GEHCZSHKHAACIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-8-7-17(11-4-2-1-3-5-11)13-12-6-9-19-14(12)16-10-15-13/h6,9-11,18H,1-5,7-8H2.
What are the key properties of 2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 277.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(thieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 54999057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).