N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine

C17H25N3O — CID 172765755

IUPACN,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(C2=CC=NCN2C)cc1
InChIInChI=1S/C17H25N3O/c1-4-20(5-2)12-13-21-16-8-6-15(7-9-16)17-10-11-18-14-19(17)3/h6-11H,4-5,12-14H2,1-3H3
InChIKeyMHEUNYZZBGGQAE-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.72
Rot. Bonds7

About N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine

N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine (PubChem CID 172765755) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine
PubChem CID172765755
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine
SMILESCCN(CC)CCOc1ccc(C2=CC=NCN2C)cc1
InChIInChI=1S/C17H25N3O/c1-4-20(5-2)12-13-21-16-8-6-15(7-9-16)17-10-11-18-14-19(17)3/h6-11H,4-5,12-14H2,1-3H3
InChIKeyMHEUNYZZBGGQAE-UHFFFAOYSA-N
XLogP2.72
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine?
The IUPAC name of N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine (CID 172765755) is N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine?
The canonical SMILES for N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine is CCN(CC)CCOc1ccc(C2=CC=NCN2C)cc1.
What is the InChIKey of N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine?
The InChIKey is MHEUNYZZBGGQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-20(5-2)12-13-21-16-8-6-15(7-9-16)17-10-11-18-14-19(17)3/h6-11H,4-5,12-14H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine?
N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(3-methyl-2H-pyrimidin-4-yl)phenoxy]ethanamine is sourced from PubChem (CID 172765755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).