2-phenoxypyrimidin-4-amine

C10H9N3O — CID 54343376

IUPAC2-phenoxypyrimidin-4-amine
SMILESNc1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C10H9N3O/c11-9-6-7-12-10(13-9)14-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChIKeyUANYAEMYXKVZHS-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.85
Rot. Bonds2

About 2-phenoxypyrimidin-4-amine

2-phenoxypyrimidin-4-amine (PubChem CID 54343376) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-phenoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-phenoxypyrimidin-4-amine
PubChem CID54343376
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-phenoxypyrimidin-4-amine
SMILESNc1ccnc(Oc2ccccc2)n1
InChIInChI=1S/C10H9N3O/c11-9-6-7-12-10(13-9)14-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
InChIKeyUANYAEMYXKVZHS-UHFFFAOYSA-N
XLogP1.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxypyrimidin-4-amine?
The IUPAC name of 2-phenoxypyrimidin-4-amine (CID 54343376) is 2-phenoxypyrimidin-4-amine.
What is the SMILES notation for 2-phenoxypyrimidin-4-amine?
The canonical SMILES for 2-phenoxypyrimidin-4-amine is Nc1ccnc(Oc2ccccc2)n1.
What is the InChIKey of 2-phenoxypyrimidin-4-amine?
The InChIKey is UANYAEMYXKVZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-9-6-7-12-10(13-9)14-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13).
What are the key properties of 2-phenoxypyrimidin-4-amine?
2-phenoxypyrimidin-4-amine has a molecular weight of 187.20 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxypyrimidin-4-amine is sourced from PubChem (CID 54343376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).