N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine

C14H19N3OS — CID 102951660

IUPACN-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc(OC)ncn1
InChIInChI=1S/C14H19N3OS/c1-3-15-12(7-6-11-5-4-8-19-11)13-9-14(18-2)17-10-16-13/h4-5,8-10,12,15H,3,6-7H2,1-2H3
InChIKeyRABJYFAPRQTFAA-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.83
Rot. Bonds7

About N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine

N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 102951660) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine
PubChem CID102951660
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine
SMILESCCNC(CCc1cccs1)c1cc(OC)ncn1
InChIInChI=1S/C14H19N3OS/c1-3-15-12(7-6-11-5-4-8-19-11)13-9-14(18-2)17-10-16-13/h4-5,8-10,12,15H,3,6-7H2,1-2H3
InChIKeyRABJYFAPRQTFAA-UHFFFAOYSA-N
XLogP2.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 102952185
N-ethyl-1-(6-methoxypyrimidin-4-yl)propan-1-amine
CID 102951537
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
N-ethyl-2-(4-ethylphenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102951640
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
N-ethyl-1-(6-methoxypyrimidin-4-yl)but-3-en-1-amine
CID 102951459
N-[furan-2-yl-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951879
1-(6-methoxypyridazin-3-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 103374100
1-(3,5-dichlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860979
[1-(6-methoxypyridazin-3-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 103375476
N-ethyl-3-thiophen-2-yl-1-thiophen-3-ylpropan-1-amine
CID 63773695
1-(3-chlorophenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 63775555

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine (CID 102951660) is N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine is CCNC(CCc1cccs1)c1cc(OC)ncn1.
What is the InChIKey of N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is RABJYFAPRQTFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-15-12(7-6-11-5-4-8-19-11)13-9-14(18-2)17-10-16-13/h4-5,8-10,12,15H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine?
N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(6-methoxypyrimidin-4-yl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 102951660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).