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

C16H18N6O2 — CID 57400271

IUPAC5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(OCc2cn(Cc3cnc(C)nc3N)nn2)cc1
InChIInChI=1S/C16H18N6O2/c1-11-18-7-12(16(17)19-11)8-22-9-13(20-21-22)10-24-15-5-3-14(23-2)4-6-15/h3-7,9H,8,10H2,1-2H3,(H2,17,18,19)
InChIKeyUZRAXPUQMIZGAD-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.59
Rot. Bonds6

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

5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine (PubChem CID 57400271) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
PubChem CID57400271
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
SMILESCOc1ccc(OCc2cn(Cc3cnc(C)nc3N)nn2)cc1
InChIInChI=1S/C16H18N6O2/c1-11-18-7-12(16(17)19-11)8-22-9-13(20-21-22)10-24-15-5-3-14(23-2)4-6-15/h3-7,9H,8,10H2,1-2H3,(H2,17,18,19)
InChIKeyUZRAXPUQMIZGAD-UHFFFAOYSA-N
XLogP1.59
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(4-Methoxyphenoxy)methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 4169250
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
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
2-Methyl-5-[[4-[[3-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]methyl]pyrimidin-4-amine
CID 57391535
2-Methyl-5-[[4-[(2-nitrophenoxy)methyl]triazol-1-yl]methyl]pyrimidin-4-amine
CID 57393357
5-[[4-[(2,4-Dichlorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 57394455
5-[[4-[(2-Chloro-4-fluorophenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine
CID 57395020
Ethyl 4-[[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]triazol-4-yl]methoxy]benzoate
CID 57396221

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine (CID 57400271) is 5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine is COc1ccc(OCc2cn(Cc3cnc(C)nc3N)nn2)cc1.
What is the InChIKey of 5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
The InChIKey is UZRAXPUQMIZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-18-7-12(16(17)19-11)8-22-9-13(20-21-22)10-24-15-5-3-14(23-2)4-6-15/h3-7,9H,8,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine?
5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine has a molecular weight of 326.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-methoxyphenoxy)methyl]triazol-1-yl]methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 57400271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).