N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine

C19H20N8O — CID 134132642

IUPACN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1
InChIInChI=1S/C19H20N8O/c1-26(2)8-9-28-14-5-6-16(21-11-14)25-17-10-18(23-12-22-17)27-13-24-19-15(27)4-3-7-20-19/h3-7,10-13H,8-9H2,1-2H3,(H,21,22,23,25)
InChIKeyYTWDOCYUHJCFCG-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.29
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine

N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine (PubChem CID 134132642) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine
PubChem CID134132642
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1
InChIInChI=1S/C19H20N8O/c1-26(2)8-9-28-14-5-6-16(21-11-14)25-17-10-18(23-12-22-17)27-13-24-19-15(27)4-3-7-20-19/h3-7,10-13H,8-9H2,1-2H3,(H,21,22,23,25)
InChIKeyYTWDOCYUHJCFCG-UHFFFAOYSA-N
XLogP2.29
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine?
The IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine (CID 134132642) is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine is CN(C)CCOc1ccc(Nc2cc(-n3cnc4ncccc43)ncn2)nc1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine?
The InChIKey is YTWDOCYUHJCFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-26(2)8-9-28-14-5-6-16(21-11-14)25-17-10-18(23-12-22-17)27-13-24-19-15(27)4-3-7-20-19/h3-7,10-13H,8-9H2,1-2H3,(H,21,22,23,25).
What are the key properties of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine?
N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine has a molecular weight of 376.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-imidazo[4,5-b]pyridin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 134132642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).