2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine

C15H15N3S — CID 116897806

IUPAC2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nccc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H15N3S/c1-16-8-7-15-17-9-6-13(18-15)12-10-19-14-5-3-2-4-11(12)14/h2-6,9-10,16H,7-8H2,1H3
InChIKeyJJUVVZIFPUIEJA-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.12
Rot. Bonds4

About 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine

2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine (PubChem CID 116897806) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine
PubChem CID116897806
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine
SMILESCNCCc1nccc(-c2csc3ccccc23)n1
InChIInChI=1S/C15H15N3S/c1-16-8-7-15-17-9-6-13(18-15)12-10-19-14-5-3-2-4-11(12)14/h2-6,9-10,16H,7-8H2,1H3
InChIKeyJJUVVZIFPUIEJA-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzothiophen-3-yl)pyrimidine-2-carbonitrile
CID 116900915
2-(1-benzothiophen-3-yl)-N-propylpyrimidin-4-amine
CID 62699425
3-[5-(1-benzothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136899
2-(1-benzothiophen-3-yl)-N-benzylpyrimidin-4-amine
CID 117083026
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]-N-methylethanamine
CID 116897750
[4-(1-benzothiophen-3-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970243
2-[[6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethanol
CID 50956839
1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-methylmethanamine
CID 84682667
N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
CID 116897785
N-methyl-3-[4-(1H-pyrrol-2-yl)pyrimidin-2-yl]propan-1-amine
CID 116898152
4-(1-benzothiophen-3-yl)-2-bromo-6-methylpyrimidine
CID 116897334
2-(4-chloroquinazolin-2-yl)-N-methylethanamine
CID 105478665

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine (CID 116897806) is 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine is CNCCc1nccc(-c2csc3ccccc23)n1.
What is the InChIKey of 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine?
The InChIKey is JJUVVZIFPUIEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-16-8-7-15-17-9-6-13(18-15)12-10-19-14-5-3-2-4-11(12)14/h2-6,9-10,16H,7-8H2,1H3.
What are the key properties of 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine?
2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzothiophen-3-yl)pyrimidin-2-yl]-N-methylethanamine is sourced from PubChem (CID 116897806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).