4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine

C13H15N3O2 — CID 80862377

IUPAC4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine
SMILESCCOc1ccc(Oc2ccnc(NC)n2)cc1
InChIInChI=1S/C13H15N3O2/c1-3-17-10-4-6-11(7-5-10)18-12-8-9-15-13(14-2)16-12/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyHZIYNBQRPNYETM-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.71
Rot. Bonds5

About 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine

4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine (PubChem CID 80862377) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine
PubChem CID80862377
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine
SMILESCCOc1ccc(Oc2ccnc(NC)n2)cc1
InChIInChI=1S/C13H15N3O2/c1-3-17-10-4-6-11(7-5-10)18-12-8-9-15-13(14-2)16-12/h4-9H,3H2,1-2H3,(H,14,15,16)
InChIKeyHZIYNBQRPNYETM-UHFFFAOYSA-N
XLogP2.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine (CID 80862377) is 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine is CCOc1ccc(Oc2ccnc(NC)n2)cc1.
What is the InChIKey of 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine?
The InChIKey is HZIYNBQRPNYETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-17-10-4-6-11(7-5-10)18-12-8-9-15-13(14-2)16-12/h4-9H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine?
4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine has a molecular weight of 245.28 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenoxy)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80862377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).