6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine

C17H23N3O — CID 80875364

IUPAC6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cccc(C(C)(C)C)c2)c1C
InChIInChI=1S/C17H23N3O/c1-6-18-15-12(2)16(20-11-19-15)21-14-9-7-8-13(10-14)17(3,4)5/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyIFJCCGKBCRFEFJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.31
Rot. Bonds4

About 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine

6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80875364) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80875364
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2cccc(C(C)(C)C)c2)c1C
InChIInChI=1S/C17H23N3O/c1-6-18-15-12(2)16(20-11-19-15)21-14-9-7-8-13(10-14)17(3,4)5/h7-11H,6H2,1-5H3,(H,18,19,20)
InChIKeyIFJCCGKBCRFEFJ-UHFFFAOYSA-N
XLogP4.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-tert-butylphenoxy)-N,5-dimethylpyrimidin-4-amine
CID 80875455
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
5-methyl-6-(3-propan-2-ylphenoxy)-N-propylpyrimidin-4-amine
CID 80866037
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250
[6-(3-ethoxyphenoxy)-5-methylpyrimidin-4-yl]hydrazine
CID 80930752
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233
6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 107669579

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine (CID 80875364) is 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(Oc2cccc(C(C)(C)C)c2)c1C.
What is the InChIKey of 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is IFJCCGKBCRFEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-6-18-15-12(2)16(20-11-19-15)21-14-9-7-8-13(10-14)17(3,4)5/h7-11H,6H2,1-5H3,(H,18,19,20).
What are the key properties of 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80875364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).