2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine

C17H23N3O — CID 80978583

IUPAC2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C17H23N3O/c1-11-14(12-7-9-13(21-6)10-8-12)19-16(17(2,3)4)20-15(11)18-5/h7-10H,1-6H3,(H,18,19,20)
InChIKeyQJHFOPIEPFUSII-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.80
Rot. Bonds3

About 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine

2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80978583) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80978583
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2ccc(OC)cc2)c1C
InChIInChI=1S/C17H23N3O/c1-11-14(12-7-9-13(21-6)10-8-12)19-16(17(2,3)4)20-15(11)18-5/h7-10H,1-6H3,(H,18,19,20)
InChIKeyQJHFOPIEPFUSII-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine (CID 80978583) is 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(-c2ccc(OC)cc2)c1C.
What is the InChIKey of 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is QJHFOPIEPFUSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-14(12-7-9-13(21-6)10-8-12)19-16(17(2,3)4)20-15(11)18-5/h7-10H,1-6H3,(H,18,19,20).
What are the key properties of 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine?
2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80978583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).