2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol

C14H20N4OS — CID 39817579

IUPAC2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
SMILESCN(CCO)C1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C14H20N4OS/c1-17(7-8-19)11-2-5-18(6-3-11)13-12-4-9-20-14(12)16-10-15-13/h4,9-11,19H,2-3,5-8H2,1H3
InChIKeyUJFSRZHTQDLHGG-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.58
Rot. Bonds4

About 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol

2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol (PubChem CID 39817579) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
PubChem CID39817579
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol
SMILESCN(CCO)C1CCN(c2ncnc3sccc23)CC1
InChIInChI=1S/C14H20N4OS/c1-17(7-8-19)11-2-5-18(6-3-11)13-12-4-9-20-14(12)16-10-15-13/h4,9-11,19H,2-3,5-8H2,1H3
InChIKeyUJFSRZHTQDLHGG-UHFFFAOYSA-N
XLogP1.58
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol?
The IUPAC name of 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol (CID 39817579) is 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol is CN(CCO)C1CCN(c2ncnc3sccc23)CC1.
What is the InChIKey of 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol?
The InChIKey is UJFSRZHTQDLHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-17(7-8-19)11-2-5-18(6-3-11)13-12-4-9-20-14(12)16-10-15-13/h4,9-11,19H,2-3,5-8H2,1H3.
What are the key properties of 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol?
2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol has a molecular weight of 292.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)amino]ethanol is sourced from PubChem (CID 39817579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).