6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine

C16H21N3O — CID 80864099

IUPAC6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O/c1-11-14(17-5)18-10-19-15(11)20-13-8-6-12(7-9-13)16(2,3)4/h6-10H,1-5H3,(H,17,18,19)
InChIKeyQMSPMYOMFOONSV-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.92
Rot. Bonds3

About 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine

6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80864099) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
PubChem CID80864099
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1ncnc(Oc2ccc(C(C)(C)C)cc2)c1C
InChIInChI=1S/C16H21N3O/c1-11-14(17-5)18-10-19-15(11)20-13-8-6-12(7-9-13)16(2,3)4/h6-10H,1-5H3,(H,17,18,19)
InChIKeyQMSPMYOMFOONSV-UHFFFAOYSA-N
XLogP3.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
6-(4-chlorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80864217
6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80875455
6-(4-chloro-3-fluorophenoxy)-N,5-dimethylpyrimidin-4-amine
CID 82717800
N,5-dimethyl-6-(2,3,6-trimethylphenoxy)pyrimidin-4-amine
CID 80875633
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine (CID 80864099) is 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine is CNc1ncnc(Oc2ccc(C(C)(C)C)cc2)c1C.
What is the InChIKey of 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is QMSPMYOMFOONSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-14(17-5)18-10-19-15(11)20-13-8-6-12(7-9-13)16(2,3)4/h6-10H,1-5H3,(H,17,18,19).
What are the key properties of 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine?
6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80864099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).