1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine

C17H23N3 — CID 116892469

IUPAC1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2ccc(C(C)(C)C)cc2)nc(C(C)N)n1
InChIInChI=1S/C17H23N3/c1-11-10-15(20-16(19-11)12(2)18)13-6-8-14(9-7-13)17(3,4)5/h6-10,12H,18H2,1-5H3
InChIKeyXSEAQKGUJNTHBR-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.77
Rot. Bonds2

About 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine

1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine (PubChem CID 116892469) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine
PubChem CID116892469
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2ccc(C(C)(C)C)cc2)nc(C(C)N)n1
InChIInChI=1S/C17H23N3/c1-11-10-15(20-16(19-11)12(2)18)13-6-8-14(9-7-13)17(3,4)5/h6-10,12H,18H2,1-5H3
InChIKeyXSEAQKGUJNTHBR-UHFFFAOYSA-N
XLogP3.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine (CID 116892469) is 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine is Cc1cc(-c2ccc(C(C)(C)C)cc2)nc(C(C)N)n1.
What is the InChIKey of 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
The InChIKey is XSEAQKGUJNTHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-11-10-15(20-16(19-11)12(2)18)13-6-8-14(9-7-13)17(3,4)5/h6-10,12H,18H2,1-5H3.
What are the key properties of 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine?
1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116892469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).