5-(4-chlorophenoxy)-1H-pyrimidin-6-one

C10H7ClN2O2 — CID 12661858

IUPAC5-(4-chlorophenoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)15-9-5-12-6-13-10(9)14/h1-6H,(H,12,13,14)
InChIKeyNXRVRAPTFGUKOO-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.22
Rot. Bonds2

About 5-(4-chlorophenoxy)-1H-pyrimidin-6-one

5-(4-chlorophenoxy)-1H-pyrimidin-6-one (PubChem CID 12661858) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-1H-pyrimidin-6-one
PubChem CID12661858
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name5-(4-chlorophenoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1Oc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)15-9-5-12-6-13-10(9)14/h1-6H,(H,12,13,14)
InChIKeyNXRVRAPTFGUKOO-UHFFFAOYSA-N
XLogP2.22
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-chlorophenoxy)-1H-pyrimidin-6-one (CID 12661858) is 5-(4-chlorophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-chlorophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-chlorophenoxy)-1H-pyrimidin-6-one is O=c1[nH]cncc1Oc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenoxy)-1H-pyrimidin-6-one?
The InChIKey is NXRVRAPTFGUKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)15-9-5-12-6-13-10(9)14/h1-6H,(H,12,13,14).
What are the key properties of 5-(4-chlorophenoxy)-1H-pyrimidin-6-one?
5-(4-chlorophenoxy)-1H-pyrimidin-6-one has a molecular weight of 222.63 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 12661858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).