2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine

C14H19N3OS — CID 144752457

IUPAC2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine
SMILESNCCc1cc2c(OC3CCCCC3)ncnc2s1
InChIInChI=1S/C14H19N3OS/c15-7-6-11-8-12-13(16-9-17-14(12)19-11)18-10-4-2-1-3-5-10/h8-10H,1-7,15H2
InChIKeyHFWJLHMTAQBIDK-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.90
Rot. Bonds4

About 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine

2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine (PubChem CID 144752457) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine
PubChem CID144752457
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine
SMILESNCCc1cc2c(OC3CCCCC3)ncnc2s1
InChIInChI=1S/C14H19N3OS/c15-7-6-11-8-12-13(16-9-17-14(12)19-11)18-10-4-2-1-3-5-10/h8-10H,1-7,15H2
InChIKeyHFWJLHMTAQBIDK-UHFFFAOYSA-N
XLogP2.90
TPSA61.03 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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine?
The IUPAC name of 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine (CID 144752457) is 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine.
What is the SMILES notation for 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine?
The canonical SMILES for 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine is NCCc1cc2c(OC3CCCCC3)ncnc2s1.
What is the InChIKey of 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine?
The InChIKey is HFWJLHMTAQBIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-7-6-11-8-12-13(16-9-17-14(12)19-11)18-10-4-2-1-3-5-10/h8-10H,1-7,15H2.
What are the key properties of 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine?
2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyloxythieno[2,3-d]pyrimidin-6-yl)ethanamine is sourced from PubChem (CID 144752457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).