4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one

C11H11N3O2 — CID 114580982

IUPAC4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
SMILESCNc1ccc(Oc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C11H11N3O2/c1-12-8-2-4-9(5-3-8)16-11-6-10(15)13-7-14-11/h2-7,12H,1H3,(H,13,14,15)
InChIKeyAIAKMWFOYLXGLL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.60
Rot. Bonds3

About 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one

4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one (PubChem CID 114580982) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
PubChem CID114580982
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
SMILESCNc1ccc(Oc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C11H11N3O2/c1-12-8-2-4-9(5-3-8)16-11-6-10(15)13-7-14-11/h2-7,12H,1H3,(H,13,14,15)
InChIKeyAIAKMWFOYLXGLL-UHFFFAOYSA-N
XLogP1.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one (CID 114580982) is 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one is CNc1ccc(Oc2cc(=O)[nH]cn2)cc1.
What is the InChIKey of 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is AIAKMWFOYLXGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-12-8-2-4-9(5-3-8)16-11-6-10(15)13-7-14-11/h2-7,12H,1H3,(H,13,14,15).
What are the key properties of 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one?
4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114580982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).