1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine

C13H15N3O2 — CID 115055212

IUPAC1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine
SMILESCOc1ccc(Oc2cnc(C(C)N)nc2)cc1
InChIInChI=1S/C13H15N3O2/c1-9(14)13-15-7-12(8-16-13)18-11-5-3-10(17-2)4-6-11/h3-9H,14H2,1-2H3
InChIKeyYWKSPLYLLZIUJD-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.30
Rot. Bonds4

About 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine

1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine (PubChem CID 115055212) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine
PubChem CID115055212
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine
SMILESCOc1ccc(Oc2cnc(C(C)N)nc2)cc1
InChIInChI=1S/C13H15N3O2/c1-9(14)13-15-7-12(8-16-13)18-11-5-3-10(17-2)4-6-11/h3-9H,14H2,1-2H3
InChIKeyYWKSPLYLLZIUJD-UHFFFAOYSA-N
XLogP2.30
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine (CID 115055212) is 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine is COc1ccc(Oc2cnc(C(C)N)nc2)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine?
The InChIKey is YWKSPLYLLZIUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9(14)13-15-7-12(8-16-13)18-11-5-3-10(17-2)4-6-11/h3-9H,14H2,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine?
1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine has a molecular weight of 245.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenoxy)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 115055212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).