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

C14H14N4S — CID 81143145

IUPACN-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine
SMILESCCNCc1ccnc(-c2cnc3ccsc3c2)n1
InChIInChI=1S/C14H14N4S/c1-2-15-9-11-3-5-16-14(18-11)10-7-13-12(17-8-10)4-6-19-13/h3-8,15H,2,9H2,1H3
InChIKeyUDCFOFQJDYLNAZ-UHFFFAOYSA-N
MW270.36 g/mol
LogP2.86
Rot. Bonds4

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

N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine (PubChem CID 81143145) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine
PubChem CID81143145
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC NameN-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine
SMILESCCNCc1ccnc(-c2cnc3ccsc3c2)n1
InChIInChI=1S/C14H14N4S/c1-2-15-9-11-3-5-16-14(18-11)10-7-13-12(17-8-10)4-6-19-13/h3-8,15H,2,9H2,1H3
InChIKeyUDCFOFQJDYLNAZ-UHFFFAOYSA-N
XLogP2.86
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 81146424
N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 81143527
N-[[2-(4-methoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 46785129
N-[[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 81491856
N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine
CID 81146701
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 107924174
N-[[2-(3-bromo-4-methylphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 114015473
5-iodo-N-methyl-6-propyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81148160
5-ethyl-N,6-dimethyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-amine
CID 81143822
1-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-2-ol
CID 109396051
6-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)thieno[3,2-b]pyridine
CID 114740551
2-methyl-1-(3-thieno[3,2-b]pyridin-6-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 81146383

Frequently Asked Questions

What is the IUPAC name of N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine (CID 81143145) is N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine is CCNCc1ccnc(-c2cnc3ccsc3c2)n1.
What is the InChIKey of N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine?
The InChIKey is UDCFOFQJDYLNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-2-15-9-11-3-5-16-14(18-11)10-7-13-12(17-8-10)4-6-19-13/h3-8,15H,2,9H2,1H3.
What are the key properties of N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine?
N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine has a molecular weight of 270.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thieno[3,2-b]pyridin-6-ylpyrimidin-4-yl)methyl]ethanamine is sourced from PubChem (CID 81143145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).