2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine

C12H13N3O3 — CID 116797544

IUPAC2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine
SMILESCOc1cc(OC)cc(Oc2nccc(N)n2)c1
InChIInChI=1S/C12H13N3O3/c1-16-8-5-9(17-2)7-10(6-8)18-12-14-4-3-11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyCQKJURQDODUJFI-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.87
Rot. Bonds4

About 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine

2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine (PubChem CID 116797544) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine
PubChem CID116797544
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine
SMILESCOc1cc(OC)cc(Oc2nccc(N)n2)c1
InChIInChI=1S/C12H13N3O3/c1-16-8-5-9(17-2)7-10(6-8)18-12-14-4-3-11(13)15-12/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyCQKJURQDODUJFI-UHFFFAOYSA-N
XLogP1.87
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine (CID 116797544) is 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine is COc1cc(OC)cc(Oc2nccc(N)n2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine?
The InChIKey is CQKJURQDODUJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-16-8-5-9(17-2)7-10(6-8)18-12-14-4-3-11(13)15-12/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine?
2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine has a molecular weight of 247.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116797544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).