5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine

C15H15FN6O — CID 90276731

IUPAC5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccc(F)cc3)nn2)c(N)n1
InChIInChI=1S/C15H15FN6O/c1-10-18-6-11(15(17)19-10)7-22-8-13(20-21-22)9-23-14-4-2-12(16)3-5-14/h2-6,8H,7,9H2,1H3,(H2,17,18,19)
InChIKeyNVRLKYXEWZGWBY-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.73
Rot. Bonds5

About 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine

5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 90276731) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
PubChem CID90276731
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccc(F)cc3)nn2)c(N)n1
InChIInChI=1S/C15H15FN6O/c1-10-18-6-11(15(17)19-10)7-22-8-13(20-21-22)9-23-14-4-2-12(16)3-5-14/h2-6,8H,7,9H2,1H3,(H2,17,18,19)
InChIKeyNVRLKYXEWZGWBY-UHFFFAOYSA-N
XLogP1.73
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10071988, Example 167
CID 130302351
US10071988, Example 63
CID 130309420
US10071988, Example 64
CID 130309423
US10071988, Example 503
CID 130309786
4-(4-Methylpyrazol-1-yl)-6-phenoxypyrimidine
CID 661295
2-Methyl-5-[[4-[(4-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine
CID 57395923
5-[[5-Iodo-4-[(4-nitrophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 57403179
US10172856, Example 104
CID 137394991
2-[(4-Methylphenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 3613987
6-(1-Ethylpyrazol-3-YL)-2-methyl-N-[3-(2-methylphenoxy)propyl]pyrimidin-4-amine
CID 46958561
5-[[4-[(2,4-Dinitrophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 57390938
Methyl 2-[4-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methoxy]phenyl]acetate
CID 57390939

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine (CID 90276731) is 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine is Cc1ncc(Cn2cc(COc3ccc(F)cc3)nn2)c(N)n1.
What is the InChIKey of 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is NVRLKYXEWZGWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6O/c1-10-18-6-11(15(17)19-10)7-22-8-13(20-21-22)9-23-14-4-2-12(16)3-5-14/h2-6,8H,7,9H2,1H3,(H2,17,18,19).
What are the key properties of 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 314.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 90276731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).