N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine

C12H15N3S — CID 62501356

IUPACN-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cncnc1
InChIInChI=1S/C12H15N3S/c1-2-15-12(6-11-4-3-5-16-11)10-7-13-9-14-8-10/h3-5,7-9,12,15H,2,6H2,1H3
InChIKeyVDVSAGXHAXFXDE-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.43
Rot. Bonds5

About N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine

N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine (PubChem CID 62501356) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
PubChem CID62501356
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cncnc1
InChIInChI=1S/C12H15N3S/c1-2-15-12(6-11-4-3-5-16-11)10-7-13-9-14-8-10/h3-5,7-9,12,15H,2,6H2,1H3
InChIKeyVDVSAGXHAXFXDE-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
CID 62502018
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
CID 63988342
N-ethyl-1-thieno[3,2-b]pyridin-6-yl-2-thiophen-2-ylethanamine
CID 81144170
N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine
CID 114687490
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
N-ethyl-2-(4-ethylphenyl)-1-pyrimidin-5-ylethanamine
CID 102923282
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
1-(4-cyclobutylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 116506059
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine (CID 62501356) is N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1cncnc1.
What is the InChIKey of N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine?
The InChIKey is VDVSAGXHAXFXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-15-12(6-11-4-3-5-16-11)10-7-13-9-14-8-10/h3-5,7-9,12,15H,2,6H2,1H3.
What are the key properties of N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine?
N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 62501356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).