6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C16H21N3O2 — CID 80988578

IUPAC6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCOc1ccc(Oc2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-20-12-6-8-13(9-7-12)21-16-11(4)14(17)18-15(19-16)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyDCLXPWMXFSBWEP-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.68
Rot. Bonds5

About 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80988578) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80988578
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCOc1ccc(Oc2nc(C(C)C)nc(N)c2C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-20-12-6-8-13(9-7-12)21-16-11(4)14(17)18-15(19-16)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyDCLXPWMXFSBWEP-UHFFFAOYSA-N
XLogP3.68
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80988578) is 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is CCOc1ccc(Oc2nc(C(C)C)nc(N)c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DCLXPWMXFSBWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-20-12-6-8-13(9-7-12)21-16-11(4)14(17)18-15(19-16)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80988578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).