6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine

C14H13N3S — CID 81146602

IUPAC6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1-c1cccc2ccsc12
InChIInChI=1S/C14H13N3S/c1-2-10-12(16-8-17-14(10)15)11-5-3-4-9-6-7-18-13(9)11/h3-8H,2H2,1H3,(H2,15,16,17)
InChIKeyDMELYFGFNNBSFI-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.50
Rot. Bonds2

About 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine

6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine (PubChem CID 81146602) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine
PubChem CID81146602
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(N)ncnc1-c1cccc2ccsc12
InChIInChI=1S/C14H13N3S/c1-2-10-12(16-8-17-14(10)15)11-5-3-4-9-6-7-18-13(9)11/h3-8H,2H2,1H3,(H2,15,16,17)
InChIKeyDMELYFGFNNBSFI-UHFFFAOYSA-N
XLogP3.50
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine (CID 81146602) is 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine is CCc1c(N)ncnc1-c1cccc2ccsc12.
What is the InChIKey of 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine?
The InChIKey is DMELYFGFNNBSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-2-10-12(16-8-17-14(10)15)11-5-3-4-9-6-7-18-13(9)11/h3-8H,2H2,1H3,(H2,15,16,17).
What are the key properties of 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine?
6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine has a molecular weight of 255.35 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-7-yl)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 81146602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).