2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine

C15H15N3S — CID 55222097

IUPAC2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(-c2csc3ccccc23)nc(N)c1C
InChIInChI=1S/C15H15N3S/c1-3-12-9(2)14(16)18-15(17-12)11-8-19-13-7-5-4-6-10(11)13/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyIUHCMLXFJCWOEE-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.81
Rot. Bonds2

About 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine

2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine (PubChem CID 55222097) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine
PubChem CID55222097
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(-c2csc3ccccc23)nc(N)c1C
InChIInChI=1S/C15H15N3S/c1-3-12-9(2)14(16)18-15(17-12)11-8-19-13-7-5-4-6-10(11)13/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyIUHCMLXFJCWOEE-UHFFFAOYSA-N
XLogP3.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine (CID 55222097) is 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine is CCc1nc(-c2csc3ccccc23)nc(N)c1C.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is IUHCMLXFJCWOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-3-12-9(2)14(16)18-15(17-12)11-8-19-13-7-5-4-6-10(11)13/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine?
2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-6-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 55222097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).