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

C15H15N3OS — CID 117084250

IUPAC2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H15N3OS/c1-10-8-14(16-6-7-19)18-15(17-10)12-9-20-13-5-3-2-4-11(12)13/h2-5,8-9,19H,6-7H2,1H3,(H,16,17,18)
InChIKeyOEAZJFUVFFDPTM-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.07
Rot. Bonds4

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

2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 117084250) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol
PubChem CID117084250
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1cc(NCCO)nc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H15N3OS/c1-10-8-14(16-6-7-19)18-15(17-10)12-9-20-13-5-3-2-4-11(12)13/h2-5,8-9,19H,6-7H2,1H3,(H,16,17,18)
InChIKeyOEAZJFUVFFDPTM-UHFFFAOYSA-N
XLogP3.07
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol
CID 50956839
2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
CID 62699425
2-(1-benzothiophen-3-yl)-N-(1-benzylpiperidin-4-yl)-6-methylpyrimidin-4-amine
CID 117084596
2-[[2-(3-chlorophenyl)-6-methylpyrimidin-4-yl]amino]ethanol
CID 86217524
6-methyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 62192485
4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
CID 116897334
2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
CID 66303207
2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
CID 117083026
2-[[6-methyl-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]ethanol
CID 117093959
4-[2-[[2-amino-6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117091764
2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine
CID 55222097
2-(1-benzothiophen-3-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550933

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol (CID 117084250) is 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol is Cc1cc(NCCO)nc(-c2csc3ccccc23)n1.
What is the InChIKey of 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is OEAZJFUVFFDPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-8-14(16-6-7-19)18-15(17-10)12-9-20-13-5-3-2-4-11(12)13/h2-5,8-9,19H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol?
2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 285.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzothiophen-3-yl)-6-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 117084250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).