N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine

C16H18N4S — CID 81146701

IUPACN-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine
SMILESCCNC(C)c1cnc(-c2cnc3ccsc3c2)nc1C
InChIInChI=1S/C16H18N4S/c1-4-17-10(2)13-9-19-16(20-11(13)3)12-7-15-14(18-8-12)5-6-21-15/h5-10,17H,4H2,1-3H3
InChIKeyWSUHUHUXRRQLHG-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.73
Rot. Bonds4

About N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine

N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine (PubChem CID 81146701) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine
PubChem CID81146701
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC NameN-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine
SMILESCCNC(C)c1cnc(-c2cnc3ccsc3c2)nc1C
InChIInChI=1S/C16H18N4S/c1-4-17-10(2)13-9-19-16(20-11(13)3)12-7-15-14(18-8-12)5-6-21-15/h5-10,17H,4H2,1-3H3
InChIKeyWSUHUHUXRRQLHG-UHFFFAOYSA-N
XLogP3.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethyl-N,6-dimethyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81143822
N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 62771904
5-iodo-6-methyl-N-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148158
2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 81146424
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771736
1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 62770310
N-ethyl-3-methyl-1-thieno[3,2-b]pyridin-6-ylbutan-1-amine
CID 81143603
4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile
CID 116647000
N-[(2,5-dimethylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 81153511
1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 81147332
2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 81146383
5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148160

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine (CID 81146701) is N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine is CCNC(C)c1cnc(-c2cnc3ccsc3c2)nc1C.
What is the InChIKey of N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine?
The InChIKey is WSUHUHUXRRQLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-4-17-10(2)13-9-19-16(20-11(13)3)12-7-15-14(18-8-12)5-6-21-15/h5-10,17H,4H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine?
N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine has a molecular weight of 298.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 81146701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).