4-(4-methylphenoxy)-1H-pyrimidin-6-one

C11H10N2O2 — CID 103240916

IUPAC4-(4-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)15-11-6-10(14)12-7-13-11/h2-7H,1H3,(H,12,13,14)
InChIKeyHSGMOBLMMANCBP-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.87
Rot. Bonds2

About 4-(4-methylphenoxy)-1H-pyrimidin-6-one

4-(4-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 103240916) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID103240916
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(4-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2cc(=O)[nH]cn2)cc1
InChIInChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)15-11-6-10(14)12-7-13-11/h2-7H,1H3,(H,12,13,14)
InChIKeyHSGMOBLMMANCBP-UHFFFAOYSA-N
XLogP1.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylphenoxy)-1H-pyrimidin-6-one (CID 103240916) is 4-(4-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylphenoxy)-1H-pyrimidin-6-one is Cc1ccc(Oc2cc(=O)[nH]cn2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is HSGMOBLMMANCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-2-4-9(5-3-8)15-11-6-10(14)12-7-13-11/h2-7H,1H3,(H,12,13,14).
What are the key properties of 4-(4-methylphenoxy)-1H-pyrimidin-6-one?
4-(4-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 202.21 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).