5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine

C15H19N3 — CID 82293098

IUPAC5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N3/c1-10-13(14(16)18-9-17-10)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyPXSROBSSUVCXTN-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.33
Rot. Bonds1

About 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine

5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine (PubChem CID 82293098) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine
PubChem CID82293098
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine
SMILESCc1ncnc(N)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N3/c1-10-13(14(16)18-9-17-10)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18)
InChIKeyPXSROBSSUVCXTN-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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine (CID 82293098) is 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine is Cc1ncnc(N)c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine?
The InChIKey is PXSROBSSUVCXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-13(14(16)18-9-17-10)11-5-7-12(8-6-11)15(2,3)4/h5-9H,1-4H3,(H2,16,17,18).
What are the key properties of 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine?
5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine 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 5-(4-tert-butylphenyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 82293098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).