2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol

C14H13N3OS — CID 50956839

IUPAC2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(-c2csc3ccccc23)ncn1
InChIInChI=1S/C14H13N3OS/c18-6-5-15-14-7-12(16-9-17-14)11-8-19-13-4-2-1-3-10(11)13/h1-4,7-9,18H,5-6H2,(H,15,16,17)
InChIKeyUTKLMZFHHXRVMM-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.76
Rot. Bonds4

About 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol

2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 50956839) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID50956839
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(-c2csc3ccccc23)ncn1
InChIInChI=1S/C14H13N3OS/c18-6-5-15-14-7-12(16-9-17-14)11-8-19-13-4-2-1-3-10(11)13/h1-4,7-9,18H,5-6H2,(H,15,16,17)
InChIKeyUTKLMZFHHXRVMM-UHFFFAOYSA-N
XLogP2.76
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 117084250
6-(1-benzothiophen-3-yl)-N-(4-phenoxyphenyl)pyrimidin-4-amine
CID 117089498
4-[2-[[2-amino-6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117091764
2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
CID 62699425
[(3S)-1-[6-[2-(1-benzothiophen-3-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 171359084
2-[[6-(5-fluoroquinolin-3-yl)pyrimidin-4-yl]amino]ethanol
CID 155917158
[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970243
2-(1-benzothiophen-3-yl)-N-phenylpyridine-4-carboxamide
CID 117090009
2-(1-benzothiophen-3-ylmethylamino)ethanol
CID 60705162
2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
CID 117083026
2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine
CID 116897806
2-methyl-4-[6-[2-(2-methyl-1-benzothiophen-3-yl)ethylamino]pyrimidin-4-yl]-3-sulfanylbenzoic acid
CID 164761085

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol (CID 50956839) is 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol is OCCNc1cc(-c2csc3ccccc23)ncn1.
What is the InChIKey of 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is UTKLMZFHHXRVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-6-5-15-14-7-12(16-9-17-14)11-8-19-13-4-2-1-3-10(11)13/h1-4,7-9,18H,5-6H2,(H,15,16,17).
What are the key properties of 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol?
2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 271.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 50956839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).