5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one

C14H13ClN2O3 — CID 79442335

IUPAC5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCOC2)nc(O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c15-10-3-1-8(2-4-10)11-13(18)16-12(17-14(11)19)9-5-6-20-7-9/h1-4,9H,5-7H2,(H2,16,17,18,19)
InChIKeyBUOKZAQAISDEFP-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.30
Rot. Bonds2

About 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one

5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one (PubChem CID 79442335) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
PubChem CID79442335
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CCOC2)nc(O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O3/c15-10-3-1-8(2-4-10)11-13(18)16-12(17-14(11)19)9-5-6-20-7-9/h1-4,9H,5-7H2,(H2,16,17,18,19)
InChIKeyBUOKZAQAISDEFP-UHFFFAOYSA-N
XLogP2.30
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one (CID 79442335) is 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CCOC2)nc(O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is BUOKZAQAISDEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c15-10-3-1-8(2-4-10)11-13(18)16-12(17-14(11)19)9-5-6-20-7-9/h1-4,9H,5-7H2,(H2,16,17,18,19).
What are the key properties of 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one?
5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 292.72 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-hydroxy-2-(oxolan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79442335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).