N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine

C19H21N5O — CID 14347179

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCN(C)CCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-24(2)12-13-25-17-7-5-16(6-8-17)22-19-21-11-9-18(23-19)15-4-3-10-20-14-15/h3-11,14H,12-13H2,1-2H3,(H,21,22,23)
InChIKeyMZGYCEMGJLYMGJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.22
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 14347179) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID14347179
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESCN(C)CCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-24(2)12-13-25-17-7-5-16(6-8-17)22-19-21-11-9-18(23-19)15-4-3-10-20-14-15/h3-11,14H,12-13H2,1-2H3,(H,21,22,23)
InChIKeyMZGYCEMGJLYMGJ-UHFFFAOYSA-N
XLogP3.22
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 14347179) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is CN(C)CCOc1ccc(Nc2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is MZGYCEMGJLYMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-24(2)12-13-25-17-7-5-16(6-8-17)22-19-21-11-9-18(23-19)15-4-3-10-20-14-15/h3-11,14H,12-13H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 335.41 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 14347179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).