5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one

C13H15N3O3 — CID 146290944

IUPAC5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one
SMILESCC(C)(O)c1cccc(Oc2nc[nH]c(=O)c2N)c1
InChIInChI=1S/C13H15N3O3/c1-13(2,18)8-4-3-5-9(6-8)19-12-10(14)11(17)15-7-16-12/h3-7,18H,14H2,1-2H3,(H,15,16,17)
InChIKeyLMOXYSRDXQEYIF-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.37
Rot. Bonds3

About 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one

5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one (PubChem CID 146290944) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one
PubChem CID146290944
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one
SMILESCC(C)(O)c1cccc(Oc2nc[nH]c(=O)c2N)c1
InChIInChI=1S/C13H15N3O3/c1-13(2,18)8-4-3-5-9(6-8)19-12-10(14)11(17)15-7-16-12/h3-7,18H,14H2,1-2H3,(H,15,16,17)
InChIKeyLMOXYSRDXQEYIF-UHFFFAOYSA-N
XLogP1.37
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one (CID 146290944) is 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one is CC(C)(O)c1cccc(Oc2nc[nH]c(=O)c2N)c1.
What is the InChIKey of 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is LMOXYSRDXQEYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-13(2,18)8-4-3-5-9(6-8)19-12-10(14)11(17)15-7-16-12/h3-7,18H,14H2,1-2H3,(H,15,16,17).
What are the key properties of 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one?
5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 261.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(2-hydroxypropan-2-yl)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 146290944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).