N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine

C22H22N6O — CID 134155322

IUPACN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-c3cnc4ccccc4c3)ncn2)nc1
InChIInChI=1S/C22H22N6O/c1-28(2)9-10-29-18-7-8-21(24-14-18)27-22-12-20(25-15-26-22)17-11-16-5-3-4-6-19(16)23-13-17/h3-8,11-15H,9-10H2,1-2H3,(H,24,25,26,27)
InChIKeyKKRQOIYKNDNQMA-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.77
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine

N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine (PubChem CID 134155322) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine
PubChem CID134155322
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-c3cnc4ccccc4c3)ncn2)nc1
InChIInChI=1S/C22H22N6O/c1-28(2)9-10-29-18-7-8-21(24-14-18)27-22-12-20(25-15-26-22)17-11-16-5-3-4-6-19(16)23-13-17/h3-8,11-15H,9-10H2,1-2H3,(H,24,25,26,27)
InChIKeyKKRQOIYKNDNQMA-UHFFFAOYSA-N
XLogP3.77
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine (CID 134155322) is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine is CN(C)CCOc1ccc(Nc2cc(-c3cnc4ccccc4c3)ncn2)nc1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine?
The InChIKey is KKRQOIYKNDNQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-28(2)9-10-29-18-7-8-21(24-14-18)27-22-12-20(25-15-26-22)17-11-16-5-3-4-6-19(16)23-13-17/h3-8,11-15H,9-10H2,1-2H3,(H,24,25,26,27).
What are the key properties of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine?
N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine has a molecular weight of 386.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-quinolin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 134155322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).