2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

C17H23N3O — CID 80663360

IUPAC2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2cccc(C(C)(C)C)c2)n1
InChIInChI=1S/C17H23N3O/c1-12-9-15(18-5)20-16(19-12)11-21-14-8-6-7-13(10-14)17(2,3)4/h6-10H,11H2,1-5H3,(H,18,19,20)
InChIKeyOAUQEISROQQJKY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.70
Rot. Bonds4

About 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine

2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 80663360) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID80663360
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(COc2cccc(C(C)(C)C)c2)n1
InChIInChI=1S/C17H23N3O/c1-12-9-15(18-5)20-16(19-12)11-21-14-8-6-7-13(10-14)17(2,3)4/h6-10H,11H2,1-5H3,(H,18,19,20)
InChIKeyOAUQEISROQQJKY-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-fluoro-4-methylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 107170521
[2-[(3-methoxyphenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656141
2-[(3-bromophenoxy)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654684
2-[(3,5-dichlorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80653912
N,6-dimethyl-2-[(4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine
CID 80654917
2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80655015
[2-[[3-(methoxymethyl)phenoxy]methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656236
2-[(2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654842
[6-[(3-tert-butylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 79230468
2-[(3-chloro-2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116689908
2-[(3-methoxyphenoxy)methyl]-6-(methylamino)pyrimidine-4-carboxylic acid
CID 82169766
N,6-dimethyl-2-[(3-methyl-2-nitrophenoxy)methyl]pyrimidin-4-amine
CID 80664084

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine (CID 80663360) is 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(COc2cccc(C(C)(C)C)c2)n1.
What is the InChIKey of 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is OAUQEISROQQJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-9-15(18-5)20-16(19-12)11-21-14-8-6-7-13(10-14)17(2,3)4/h6-10H,11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine?
2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butylphenoxy)methyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80663360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).