5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline

C15H19N3O — CID 82483085

IUPAC5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2nccc(C(C)(C)C)n2)cc1N
InChIInChI=1S/C15H19N3O/c1-15(2,3)13-7-8-17-14(18-13)10-5-6-12(19-4)11(16)9-10/h5-9H,16H2,1-4H3
InChIKeyZIMXDNYXGQKVRY-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.03
Rot. Bonds2

About 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline

5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline (PubChem CID 82483085) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline.

Molecular Properties

Compound Name5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
PubChem CID82483085
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
SMILESCOc1ccc(-c2nccc(C(C)(C)C)n2)cc1N
InChIInChI=1S/C15H19N3O/c1-15(2,3)13-7-8-17-14(18-13)10-5-6-12(19-4)11(16)9-10/h5-9H,16H2,1-4H3
InChIKeyZIMXDNYXGQKVRY-UHFFFAOYSA-N
XLogP3.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
CID 82483089
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline
CID 82477593
5-(5-tert-butyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 61394671
3-(4-tert-butylpyrimidin-2-yl)benzoic acid
CID 116900113
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]-N-methylmethanamine
CID 62748617
2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
CID 103202016
[6-tert-butyl-2-(3-chloro-4-methoxyphenyl)pyrimidin-4-yl]hydrazine
CID 65022279
[6-tert-butyl-2-(4-methoxy-3-methylphenyl)pyrimidin-4-yl]hydrazine
CID 62251106
4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 63867126
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
5-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 100559933

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline?
The IUPAC name of 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline (CID 82483085) is 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline.
What is the SMILES notation for 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline?
The canonical SMILES for 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline is COc1ccc(-c2nccc(C(C)(C)C)n2)cc1N.
What is the InChIKey of 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline?
The InChIKey is ZIMXDNYXGQKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)13-7-8-17-14(18-13)10-5-6-12(19-4)11(16)9-10/h5-9H,16H2,1-4H3.
What are the key properties of 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline?
5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline has a molecular weight of 257.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline is sourced from PubChem (CID 82483085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).