2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine

C16H21N3 — CID 102923357

IUPAC2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine
SMILESCC(C)(C)c1ccc(CC(N)c2cncnc2)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)14-6-4-12(5-7-14)8-15(17)13-9-18-11-19-10-13/h4-7,9-11,15H,8,17H2,1-3H3
InChIKeyHXJLAUPNFYWNKD-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.02
Rot. Bonds3

About 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine

2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923357) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine
PubChem CID102923357
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine
SMILESCC(C)(C)c1ccc(CC(N)c2cncnc2)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)14-6-4-12(5-7-14)8-15(17)13-9-18-11-19-10-13/h4-7,9-11,15H,8,17H2,1-3H3
InChIKeyHXJLAUPNFYWNKD-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 43106267
2-naphthalen-2-yl-1-pyrimidin-5-ylethanamine
CID 105118863
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791
2-(3-bromo-4-fluorophenyl)-1-pyrimidin-5-ylethanamine
CID 102923307
2-(1-methylpyrazol-4-yl)-1-pyrimidin-5-ylethanamine
CID 102923318
2-(4-tert-butylphenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107992613
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777
2-(4-tert-butylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115842835
2-(4-tert-butylphenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105136216
2-(2,6-dichlorophenyl)-1-pyrimidin-5-ylethanamine
CID 55078463
2-(4-tert-butylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105136160
2-(1-methylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923732

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine (CID 102923357) is 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine is CC(C)(C)c1ccc(CC(N)c2cncnc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine?
The InChIKey is HXJLAUPNFYWNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)14-6-4-12(5-7-14)8-15(17)13-9-18-11-19-10-13/h4-7,9-11,15H,8,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine?
2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).