2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine

C15H16N6O — CID 57401134

IUPAC2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccccc3)nn2)c(N)n1
InChIInChI=1S/C15H16N6O/c1-11-17-7-12(15(16)18-11)8-21-9-13(19-20-21)10-22-14-5-3-2-4-6-14/h2-7,9H,8,10H2,1H3,(H2,16,17,18)
InChIKeyLDHXDHASNDWZPB-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.59
Rot. Bonds5

About 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine

2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine (PubChem CID 57401134) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine
PubChem CID57401134
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine
SMILESCc1ncc(Cn2cc(COc3ccccc3)nn2)c(N)n1
InChIInChI=1S/C15H16N6O/c1-11-17-7-12(15(16)18-11)8-21-9-13(19-20-21)10-22-14-5-3-2-4-6-14/h2-7,9H,8,10H2,1H3,(H2,16,17,18)
InChIKeyLDHXDHASNDWZPB-UHFFFAOYSA-N
XLogP1.59
TPSA91.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-Methylpyrazol-1-yl)-6-phenoxypyrimidine
CID 661295
(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl phenyl ether
CID 4564703
5-methyl-2-(2-propan-2-yloxyphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
CID 60167828
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
2,4-Pteridinediamine, 6-(phenoxymethyl)-
CID 314662
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine (CID 57401134) is 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine is Cc1ncc(Cn2cc(COc3ccccc3)nn2)c(N)n1.
What is the InChIKey of 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine?
The InChIKey is LDHXDHASNDWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-11-17-7-12(15(16)18-11)8-21-9-13(19-20-21)10-22-14-5-3-2-4-6-14/h2-7,9H,8,10H2,1H3,(H2,16,17,18).
What are the key properties of 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine?
2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine has a molecular weight of 296.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[4-(phenoxymethyl)triazol-1-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 57401134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).