2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

C17H23N3O — CID 80663952

IUPAC2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCC(C)c1ccccc1OCc1nc(C)cc(NC)n1
InChIInChI=1S/C17H23N3O/c1-5-12(2)14-8-6-7-9-15(14)21-11-17-19-13(3)10-16(18-4)20-17/h6-10,12H,5,11H2,1-4H3,(H,18,19,20)
InChIKeySHHGNBOKSYXSJC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.92
Rot. Bonds6

About 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80663952) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80663952
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCCC(C)c1ccccc1OCc1nc(C)cc(NC)n1
InChIInChI=1S/C17H23N3O/c1-5-12(2)14-8-6-7-9-15(14)21-11-17-19-13(3)10-16(18-4)20-17/h6-10,12H,5,11H2,1-4H3,(H,18,19,20)
InChIKeySHHGNBOKSYXSJC-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
N,6-dimethyl-2-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80664311
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80655015
2-[(5-fluoro-2-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 102984950
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
2-[(3-chloro-2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116689908
[6-methyl-2-[(2-propoxyphenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80664443
N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80654917
6-methyl-2-[(2-methylphenoxy)methyl]-N-propylpyrimidin-4-amine
CID 80654286
[6-[(2-butan-2-ylphenoxy)methyl]-5-chloro-2-pyridinyl]hydrazine
CID 62887389
N,6-dimethyl-2-[(3-methyl-2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80664084

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80663952) is 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is CCC(C)c1ccccc1OCc1nc(C)cc(NC)n1.
What is the InChIKey of 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is SHHGNBOKSYXSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-12(2)14-8-6-7-9-15(14)21-11-17-19-13(3)10-16(18-4)20-17/h6-10,12H,5,11H2,1-4H3,(H,18,19,20).
What are the key properties of 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butan-2-ylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80663952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).