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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Related Compounds

2-[cyclopentyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetic acid
CID 60840198
2-[cyclopentyl(thieno[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 54999108
2-[cyclopentyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333025
N-cyclopropyl-N-(thiophen-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 56799553
2-[(7-aminoquinazolin-4-yl)-cyclohexylamino]ethanol
CID 65336641
2-[cyclopropyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333014
2-[cyclohexyl-[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810290
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
CID 39817579
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-[(2S)-1-thieno[2,3-d]pyrimidin-4-ylpiperidin-2-yl]ethanol
CID 8008870
N-(azepan-4-yl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 107174233

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).