6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine

C17H23N3O — CID 107669579

IUPAC6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(C(C)CC)cc2)c1C
InChIInChI=1S/C17H23N3O/c1-5-12(3)14-7-9-15(10-8-14)21-17-13(4)16(18-6-2)19-11-20-17/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyAWAFMMBJXAYRMZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.52
Rot. Bonds6

About 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine

6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 107669579) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID107669579
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccc(C(C)CC)cc2)c1C
InChIInChI=1S/C17H23N3O/c1-5-12(3)14-7-9-15(10-8-14)21-17-13(4)16(18-6-2)19-11-20-17/h7-12H,5-6H2,1-4H3,(H,18,19,20)
InChIKeyAWAFMMBJXAYRMZ-UHFFFAOYSA-N
XLogP4.52
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
CID 80869351
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
CID 107663693
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine (CID 107669579) is 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine is CCNc1ncnc(Oc2ccc(C(C)CC)cc2)c1C.
What is the InChIKey of 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is AWAFMMBJXAYRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-12(3)14-7-9-15(10-8-14)21-17-13(4)16(18-6-2)19-11-20-17/h7-12H,5-6H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine?
6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107669579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).