2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine

C15H15N3S — CID 102923329

IUPAC2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(Cc1csc2ccccc12)c1cncnc1
InChIInChI=1S/C15H15N3S/c1-16-14(12-7-17-10-18-8-12)6-11-9-19-15-5-3-2-4-13(11)15/h2-5,7-10,14,16H,6H2,1H3
InChIKeyVWMJEZKWZYSBEY-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.19
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine

2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine (PubChem CID 102923329) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine
PubChem CID102923329
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine
SMILESCNC(Cc1csc2ccccc12)c1cncnc1
InChIInChI=1S/C15H15N3S/c1-16-14(12-7-17-10-18-8-12)6-11-9-19-15-5-3-2-4-13(11)15/h2-5,7-10,14,16H,6H2,1H3
InChIKeyVWMJEZKWZYSBEY-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-naphthalen-1-yl-1-pyrimidin-5-ylethanamine
CID 105118515
2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755028
2-(1-benzothiophen-3-yl)-1-(4-chloro-3-methylphenyl)-N-methylethanamine
CID 115823976
2-(1-benzothiophen-3-yl)-N-methyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 63737255
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
2-(1-benzothiophen-3-yl)-1-(2,3-dimethylphenyl)-N-methylethanamine
CID 115823499
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-(1-benzothiophen-3-yl)-1-(2-fluoro-5-methylphenyl)-N-methylethanamine
CID 115823769
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738
1-(1-benzothiophen-3-yl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 115984876
3-(1-benzothiophen-3-yl)-N,2-dimethylpropan-1-amine
CID 63739036
1-(1-benzothiophen-3-yl)-N,4,4-trimethylpentan-2-amine
CID 63889811

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine (CID 102923329) is 2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine is CNC(Cc1csc2ccccc12)c1cncnc1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
The InChIKey is VWMJEZKWZYSBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-16-14(12-7-17-10-18-8-12)6-11-9-19-15-5-3-2-4-13(11)15/h2-5,7-10,14,16H,6H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine?
2-(1-benzothiophen-3-yl)-N-methyl-1-pyrimidin-5-ylethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.19, 4 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)-N-methyl-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).