5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one

C14H17N3O2 — CID 103241049

IUPAC5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one
SMILESCC(C)(C)c1ccc(Oc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)9-4-6-10(7-5-9)19-13-11(15)12(18)16-8-17-13/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyUXAQUYVBOTUEMZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.44
Rot. Bonds2

About 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one

5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103241049) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one
PubChem CID103241049
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one
SMILESCC(C)(C)c1ccc(Oc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C14H17N3O2/c1-14(2,3)9-4-6-10(7-5-9)19-13-11(15)12(18)16-8-17-13/h4-8H,15H2,1-3H3,(H,16,17,18)
InChIKeyUXAQUYVBOTUEMZ-UHFFFAOYSA-N
XLogP2.44
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one (CID 103241049) is 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one is CC(C)(C)c1ccc(Oc2nc[nH]c(=O)c2N)cc1.
What is the InChIKey of 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is UXAQUYVBOTUEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,3)9-4-6-10(7-5-9)19-13-11(15)12(18)16-8-17-13/h4-8H,15H2,1-3H3,(H,16,17,18).
What are the key properties of 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one?
5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-tert-butylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).