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

C15H19N3O — CID 82483089

IUPAC4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
SMILESCOc1cc(-c2nccc(C(C)(C)C)n2)ccc1N
InChIInChI=1S/C15H19N3O/c1-15(2,3)13-7-8-17-14(18-13)10-5-6-11(16)12(9-10)19-4/h5-9H,16H2,1-4H3
InChIKeyKFUFPIKTOBNYMC-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.03
Rot. Bonds2

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

4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline (PubChem CID 82483089) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
PubChem CID82483089
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
SMILESCOc1cc(-c2nccc(C(C)(C)C)n2)ccc1N
InChIInChI=1S/C15H19N3O/c1-15(2,3)13-7-8-17-14(18-13)10-5-6-11(16)12(9-10)19-4/h5-9H,16H2,1-4H3
InChIKeyKFUFPIKTOBNYMC-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

5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
CID 82483085
2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline
CID 82477593
2-methoxy-4-(1,3-oxazol-2-yl)aniline
CID 82468773
2-(4-amino-3-methoxyphenyl)-1H-pyrimidin-6-one
CID 82471766
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
4-(5-tert-butyl-1H-imidazol-2-yl)-2-methoxyaniline
CID 113452714
3-(4-tert-butylpyrimidin-2-yl)benzoic acid
CID 116900113
4-(3,4-dimethoxyphenyl)-1,3,5-triazin-2-amine
CID 63867126
2-tert-butyl-5,6-dimethoxyquinolin-8-amine
CID 22262997
1-[2-(3,4-dimethoxyphenyl)pyrimidin-4-yl]propan-2-amine
CID 62745743
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;5H-tetrazole
CID 175609219
2-amino-5-(4-amino-3-methoxyphenyl)phenol
CID 131862396

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline?
The IUPAC name of 4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline (CID 82483089) is 4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline.
What is the SMILES notation for 4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline?
The canonical SMILES for 4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline is COc1cc(-c2nccc(C(C)(C)C)n2)ccc1N.
What is the InChIKey of 4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline?
The InChIKey is KFUFPIKTOBNYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(2,3)13-7-8-17-14(18-13)10-5-6-11(16)12(9-10)19-4/h5-9H,16H2,1-4H3.
What are the key properties of 4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline?
4-(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 4-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline is sourced from PubChem (CID 82483089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).