N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine

C21H24N4O — CID 56563771

IUPACN,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1ccccc1OCCN(C)c1nc(-c2ccccn2)nc(C)c1C
InChIInChI=1S/C21H24N4O/c1-15-9-5-6-11-19(15)26-14-13-25(4)21-16(2)17(3)23-20(24-21)18-10-7-8-12-22-18/h5-12H,13-14H2,1-4H3
InChIKeyBZOYHOXPJUWATJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.98
Rot. Bonds6

About N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine

N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 56563771) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID56563771
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine
SMILESCc1ccccc1OCCN(C)c1nc(-c2ccccn2)nc(C)c1C
InChIInChI=1S/C21H24N4O/c1-15-9-5-6-11-19(15)26-14-13-25(4)21-16(2)17(3)23-20(24-21)18-10-7-8-12-22-18/h5-12H,13-14H2,1-4H3
InChIKeyBZOYHOXPJUWATJ-UHFFFAOYSA-N
XLogP3.98
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine (CID 56563771) is N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine is Cc1ccccc1OCCN(C)c1nc(-c2ccccn2)nc(C)c1C.
What is the InChIKey of N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is BZOYHOXPJUWATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-9-5-6-11-19(15)26-14-13-25(4)21-16(2)17(3)23-20(24-21)18-10-7-8-12-22-18/h5-12H,13-14H2,1-4H3.
What are the key properties of N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine?
N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[2-(2-methylphenoxy)ethyl]-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 56563771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).