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

C13H13ClN2O2 — CID 79441182

IUPAC5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C13H13ClN2O2/c1-7(2)11-15-12(17)10(13(18)16-11)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeySHARASDPWGRJTN-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.92
Rot. Bonds2

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

5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 79441182) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID79441182
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C13H13ClN2O2/c1-7(2)11-15-12(17)10(13(18)16-11)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H2,15,16,17,18)
InChIKeySHARASDPWGRJTN-UHFFFAOYSA-N
XLogP2.92
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 79441182) is 5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SHARASDPWGRJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7(2)11-15-12(17)10(13(18)16-11)8-4-3-5-9(14)6-8/h3-7H,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one?
5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 264.71 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 79441182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).