4-methoxy-6-phenoxypyrimidin-2-amine

C11H11N3O2 — CID 684938

IUPAC4-methoxy-6-phenoxypyrimidin-2-amine
SMILESCOc1cc(Oc2ccccc2)nc(N)n1
InChIInChI=1S/C11H11N3O2/c1-15-9-7-10(14-11(12)13-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)
InChIKeyIIOJVHHQYGRCRP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.86
Rot. Bonds3

About 4-methoxy-6-phenoxypyrimidin-2-amine

4-methoxy-6-phenoxypyrimidin-2-amine (PubChem CID 684938) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-methoxy-6-phenoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-phenoxypyrimidin-2-amine
PubChem CID684938
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-methoxy-6-phenoxypyrimidin-2-amine
SMILESCOc1cc(Oc2ccccc2)nc(N)n1
InChIInChI=1S/C11H11N3O2/c1-15-9-7-10(14-11(12)13-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14)
InChIKeyIIOJVHHQYGRCRP-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-methoxy-6-phenoxypyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-phenoxypyrimidin-2-amine (CID 684938) is 4-methoxy-6-phenoxypyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-phenoxypyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-phenoxypyrimidin-2-amine is COc1cc(Oc2ccccc2)nc(N)n1.
What is the InChIKey of 4-methoxy-6-phenoxypyrimidin-2-amine?
The InChIKey is IIOJVHHQYGRCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-15-9-7-10(14-11(12)13-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14).
What are the key properties of 4-methoxy-6-phenoxypyrimidin-2-amine?
4-methoxy-6-phenoxypyrimidin-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-methoxy-6-phenoxypyrimidin-2-amine is sourced from PubChem (CID 684938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).