4-(4-methoxyphenoxy)pyrimidin-2-amine

C11H11N3O2 — CID 80869938

IUPAC4-(4-methoxyphenoxy)pyrimidin-2-amine
SMILESCOc1ccc(Oc2ccnc(N)n2)cc1
InChIInChI=1S/C11H11N3O2/c1-15-8-2-4-9(5-3-8)16-10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14)
InChIKeyLFIPPBWPRMFLNJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.86
Rot. Bonds3

About 4-(4-methoxyphenoxy)pyrimidin-2-amine

4-(4-methoxyphenoxy)pyrimidin-2-amine (PubChem CID 80869938) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)pyrimidin-2-amine
PubChem CID80869938
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-(4-methoxyphenoxy)pyrimidin-2-amine
SMILESCOc1ccc(Oc2ccnc(N)n2)cc1
InChIInChI=1S/C11H11N3O2/c1-15-8-2-4-9(5-3-8)16-10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14)
InChIKeyLFIPPBWPRMFLNJ-UHFFFAOYSA-N
XLogP1.86
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)pyrimidin-2-amine?
The IUPAC name of 4-(4-methoxyphenoxy)pyrimidin-2-amine (CID 80869938) is 4-(4-methoxyphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methoxyphenoxy)pyrimidin-2-amine is COc1ccc(Oc2ccnc(N)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)pyrimidin-2-amine?
The InChIKey is LFIPPBWPRMFLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-15-8-2-4-9(5-3-8)16-10-6-7-13-11(12)14-10/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 4-(4-methoxyphenoxy)pyrimidin-2-amine?
4-(4-methoxyphenoxy)pyrimidin-2-amine has a molecular weight of 217.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80869938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).