1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine

C12H15N3OS — CID 102951091

IUPAC1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1cc(OC)ncn1
InChIInChI=1S/C12H15N3OS/c1-13-10(5-9-3-4-17-7-9)11-6-12(16-2)15-8-14-11/h3-4,6-8,10,13H,5H2,1-2H3
InChIKeyPAAGCSYDQOCAIF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.05
Rot. Bonds5

About 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine

1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine (PubChem CID 102951091) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
PubChem CID102951091
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine
SMILESCNC(Cc1ccsc1)c1cc(OC)ncn1
InChIInChI=1S/C12H15N3OS/c1-13-10(5-9-3-4-17-7-9)11-6-12(16-2)15-8-14-11/h3-4,6-8,10,13H,5H2,1-2H3
InChIKeyPAAGCSYDQOCAIF-UHFFFAOYSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 102951072
2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951077
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 102951016
2-(3-bromo-5-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951155
N-ethyl-2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951640
2-(4-fluoro-2-methylphenyl)-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102951355
N-methyl-2-thiophen-3-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 61078910
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 102951244
2-cyclopropyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950996
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 102951147
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
2-cyclopentyl-1-(6-methoxypyrimidin-4-yl)-N-methylethanamine
CID 102950983

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine (CID 102951091) is 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine is CNC(Cc1ccsc1)c1cc(OC)ncn1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine?
The InChIKey is PAAGCSYDQOCAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-13-10(5-9-3-4-17-7-9)11-6-12(16-2)15-8-14-11/h3-4,6-8,10,13H,5H2,1-2H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine?
1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine has a molecular weight of 249.34 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-N-methyl-2-thiophen-3-ylethanamine is sourced from PubChem (CID 102951091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).