4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine

C15H19N3O2 — CID 107663693

IUPAC4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
SMILESCCC(C)c1ccc(Oc2ncnc(OC)c2N)cc1
InChIInChI=1S/C15H19N3O2/c1-4-10(2)11-5-7-12(8-6-11)20-15-13(16)14(19-3)17-9-18-15/h5-10H,4,16H2,1-3H3
InChIKeyKVLJDVQBTVQMKN-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.37
Rot. Bonds5

About 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine

4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine (PubChem CID 107663693) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
PubChem CID107663693
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine
SMILESCCC(C)c1ccc(Oc2ncnc(OC)c2N)cc1
InChIInChI=1S/C15H19N3O2/c1-4-10(2)11-5-7-12(8-6-11)20-15-13(16)14(19-3)17-9-18-15/h5-10H,4,16H2,1-3H3
InChIKeyKVLJDVQBTVQMKN-UHFFFAOYSA-N
XLogP3.37
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
CID 107663742
6-(4-butan-2-ylphenoxy)-2-methoxypyridin-3-amine
CID 107663733
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 107669579
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
[3-(4-butan-2-ylphenoxy)pyrazin-2-yl]methanamine
CID 107663628
6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141072
[5-(5-amino-6-methoxypyrimidin-4-yl)oxy-2-fluorophenyl]methanol
CID 146290878
1-[4-(4-butan-2-ylphenoxy)phenyl]propan-2-amine
CID 107668862
1-(4-butan-2-ylphenoxy)butan-2-amine
CID 107664163
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine?
The IUPAC name of 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine (CID 107663693) is 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine.
What is the SMILES notation for 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine?
The canonical SMILES for 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine is CCC(C)c1ccc(Oc2ncnc(OC)c2N)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine?
The InChIKey is KVLJDVQBTVQMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-10(2)11-5-7-12(8-6-11)20-15-13(16)14(19-3)17-9-18-15/h5-10H,4,16H2,1-3H3.
What are the key properties of 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine?
4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine has a molecular weight of 273.34 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenoxy)-6-methoxypyrimidin-5-amine is sourced from PubChem (CID 107663693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).