6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

C18H17FN4O — CID 127041066

IUPAC6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCN(C)c1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17FN4O/c1-23(2)17-11-14(12-24-15-7-5-6-13(19)10-15)21-18(22-17)16-8-3-4-9-20-16/h3-11H,12H2,1-2H3
InChIKeyLZKMQGNFIGHTIY-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.32
Rot. Bonds5

About 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine

6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (PubChem CID 127041066) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
PubChem CID127041066
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
SMILESCN(C)c1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H17FN4O/c1-23(2)17-11-14(12-24-15-7-5-6-13(19)10-15)21-18(22-17)16-8-3-4-9-20-16/h3-11H,12H2,1-2H3
InChIKeyLZKMQGNFIGHTIY-UHFFFAOYSA-N
XLogP3.32
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine (CID 127041066) is 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is CN(C)c1cc(COc2cccc(F)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
The InChIKey is LZKMQGNFIGHTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-23(2)17-11-14(12-24-15-7-5-6-13(19)10-15)21-18(22-17)16-8-3-4-9-20-16/h3-11H,12H2,1-2H3.
What are the key properties of 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine?
6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine has a molecular weight of 324.36 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenoxy)methyl]-N,N-dimethyl-2-pyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 127041066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).