N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine

C21H22N6O — CID 134137362

IUPACN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-n3ccc4ccccc43)ncn2)nc1
InChIInChI=1S/C21H22N6O/c1-26(2)11-12-28-17-7-8-19(22-14-17)25-20-13-21(24-15-23-20)27-10-9-16-5-3-4-6-18(16)27/h3-10,13-15H,11-12H2,1-2H3,(H,22,23,24,25)
InChIKeyJCMNYBKEMOQWKZ-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.50
Rot. Bonds7

About N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine

N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine (PubChem CID 134137362) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine
PubChem CID134137362
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine
SMILESCN(C)CCOc1ccc(Nc2cc(-n3ccc4ccccc43)ncn2)nc1
InChIInChI=1S/C21H22N6O/c1-26(2)11-12-28-17-7-8-19(22-14-17)25-20-13-21(24-15-23-20)27-10-9-16-5-3-4-6-18(16)27/h3-10,13-15H,11-12H2,1-2H3,(H,22,23,24,25)
InChIKeyJCMNYBKEMOQWKZ-UHFFFAOYSA-N
XLogP3.50
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.50
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-indol-1-ylpyrimidin-4-amine?
The IUPAC name of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine (CID 134137362) is N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine?
The canonical SMILES for N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine is CN(C)CCOc1ccc(Nc2cc(-n3ccc4ccccc43)ncn2)nc1.
What is the InChIKey of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine?
The InChIKey is JCMNYBKEMOQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-26(2)11-12-28-17-7-8-19(22-14-17)25-20-13-21(24-15-23-20)27-10-9-16-5-3-4-6-18(16)27/h3-10,13-15H,11-12H2,1-2H3,(H,22,23,24,25).
What are the key properties of N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine?
N-[5-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6-indol-1-ylpyrimidin-4-amine has a molecular weight of 374.45 g/mol, XLogP of 3.50, 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-indol-1-ylpyrimidin-4-amine is sourced from PubChem (CID 134137362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).