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

C15H19N3 — CID 82477593

IUPAC2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nccc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H19N3/c1-10-5-6-12(16)11(9-10)14-17-8-7-13(18-14)15(2,3)4/h5-9H,16H2,1-4H3
InChIKeyCEXFQDZHWOFAMH-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.33
Rot. Bonds1

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

2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline (PubChem CID 82477593) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline
PubChem CID82477593
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nccc(C(C)(C)C)n2)c1
InChIInChI=1S/C15H19N3/c1-10-5-6-12(16)11(9-10)14-17-8-7-13(18-14)15(2,3)4/h5-9H,16H2,1-4H3
InChIKeyCEXFQDZHWOFAMH-UHFFFAOYSA-N
XLogP3.33
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
2-(4,6-dimethylpyrimidin-2-yl)-4-methylaniline
CID 82471042
5-(4-tert-butylpyrimidin-2-yl)-2-methoxyaniline
CID 82483085
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylaniline
CID 65454715
[2-(2,5-dimethylphenyl)pyrimidin-4-yl]phosphane
CID 143060384
5-(2-amino-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 61319772
6-tert-butyl-2-(2-methylpyrimidin-4-yl)pyrimidin-4-amine
CID 115528413
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 62716630
3-(4-tert-butylpyrimidin-2-yl)benzoic acid
CID 116900113
2-tert-butyl-6-methylquinolin-4-amine
CID 62202003
2-tert-butyl-4-methylpyridine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 153396888
2-(2,5-dimethylthiophen-3-yl)-4-methylaniline
CID 112557850

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline?
The IUPAC name of 2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline (CID 82477593) is 2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline.
What is the SMILES notation for 2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline?
The canonical SMILES for 2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline is Cc1ccc(N)c(-c2nccc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline?
The InChIKey is CEXFQDZHWOFAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-5-6-12(16)11(9-10)14-17-8-7-13(18-14)15(2,3)4/h5-9H,16H2,1-4H3.
What are the key properties of 2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline?
2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline has a molecular weight of 241.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpyrimidin-2-yl)-4-methylaniline is sourced from PubChem (CID 82477593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).