1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine

C15H18FN3O — CID 123987575

IUPAC1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine
SMILESCc1ncnc(C)c1-c1ccc(OCN(C)C)c(F)c1
InChIInChI=1S/C15H18FN3O/c1-10-15(11(2)18-8-17-10)12-5-6-14(13(16)7-12)20-9-19(3)4/h5-8H,9H2,1-4H3
InChIKeyUJISLMJHIQEVKV-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.80
Rot. Bonds4

About 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine

1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine (PubChem CID 123987575) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine
PubChem CID123987575
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine
SMILESCc1ncnc(C)c1-c1ccc(OCN(C)C)c(F)c1
InChIInChI=1S/C15H18FN3O/c1-10-15(11(2)18-8-17-10)12-5-6-14(13(16)7-12)20-9-19(3)4/h5-8H,9H2,1-4H3
InChIKeyUJISLMJHIQEVKV-UHFFFAOYSA-N
XLogP2.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]furo[3,2-c]pyridine
CID 75201959
4-(4-ethoxy-3-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 95478845
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
5-(5-fluoro-4-methoxy-2-methylphenyl)-4,6-dimethylpyrimidine
CID 90142190
2-fluoro-4-[4-(4-methylphenyl)phenyl]-1-(2-methylpropoxy)benzene
CID 144809365
4-(4-ethoxy-3-fluorophenyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 82486560
5-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethoxy]benzaldehyde
CID 87737104
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143
[4-[2-(dimethylamino)ethoxy]-3-fluorophenyl]methanol
CID 107690943
2-[4-(aminomethyl)-2-fluorophenoxy]-N,N-dimethylethanamine
CID 61101901
4-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-N,N-dimethylaniline
CID 82252766
3-[4-(2-aminoethyl)-2-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 107692701

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine (CID 123987575) is 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine is Cc1ncnc(C)c1-c1ccc(OCN(C)C)c(F)c1.
What is the InChIKey of 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine?
The InChIKey is UJISLMJHIQEVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-15(11(2)18-8-17-10)12-5-6-14(13(16)7-12)20-9-19(3)4/h5-8H,9H2,1-4H3.
What are the key properties of 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine?
1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine has a molecular weight of 275.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethylpyrimidin-5-yl)-2-fluorophenoxy]-N,N-dimethylmethanamine is sourced from PubChem (CID 123987575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).