N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine

C12H15N3S — CID 63988342

IUPACN-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1ccncn1
InChIInChI=1S/C12H15N3S/c1-2-14-12(8-10-4-3-7-16-10)11-5-6-13-9-15-11/h3-7,9,12,14H,2,8H2,1H3
InChIKeyQBFUMNQLHQIGLI-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.43
Rot. Bonds5

About N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine

N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine (PubChem CID 63988342) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
PubChem CID63988342
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC NameN-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1ccncn1
InChIInChI=1S/C12H15N3S/c1-2-14-12(8-10-4-3-7-16-10)11-5-6-13-9-15-11/h3-7,9,12,14H,2,8H2,1H3
InChIKeyQBFUMNQLHQIGLI-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-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
2-(2,6-dichlorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988550
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 82730318
N-ethyl-1-pyrimidin-4-ylbut-3-en-1-amine
CID 63990208
N-ethyl-2-(1-ethylimidazol-2-yl)-1-pyrimidin-4-ylethanamine
CID 79751615
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553
N-ethyl-2-(1-methylpyrazol-4-yl)-1-pyrimidin-4-ylethanamine
CID 63989998
1-(5-chlorofuran-2-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 106687804
N-ethyl-2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-4-ylethanamine
CID 104793956
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 114855706

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine (CID 63988342) is N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1ccncn1.
What is the InChIKey of N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine?
The InChIKey is QBFUMNQLHQIGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-14-12(8-10-4-3-7-16-10)11-5-6-13-9-15-11/h3-7,9,12,14H,2,8H2,1H3.
What are the key properties of N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine?
N-ethyl-1-pyrimidin-4-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-4-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 63988342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).