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

C15H17ClN2O3 — CID 116705991

IUPAC5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C15H17ClN2O3/c1-3-5-11(21-2)13-17-14(19)12(15(20)18-13)9-6-4-7-10(16)8-9/h4,6-8,11H,3,5H2,1-2H3,(H2,17,18,19,20)
InChIKeyFOXVFLSUNDKGTJ-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.28
Rot. Bonds5

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

5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one (PubChem CID 116705991) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
PubChem CID116705991
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C15H17ClN2O3/c1-3-5-11(21-2)13-17-14(19)12(15(20)18-13)9-6-4-7-10(16)8-9/h4,6-8,11H,3,5H2,1-2H3,(H2,17,18,19,20)
InChIKeyFOXVFLSUNDKGTJ-UHFFFAOYSA-N
XLogP3.28
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705970
5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 79441182
2-(1-aminopropan-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440205
5-(2-bromophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116706012
5-(3-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439793
2-(2-aminobutyl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440436
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
2-(1-ethoxypropyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 116705733
5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 107925383
5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 79431642
5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 79431771
5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79431640

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one (CID 116705991) is 5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one is CCCC(OC)c1nc(O)c(-c2cccc(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
The InChIKey is FOXVFLSUNDKGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-3-5-11(21-2)13-17-14(19)12(15(20)18-13)9-6-4-7-10(16)8-9/h4,6-8,11H,3,5H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one?
5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one has a molecular weight of 308.76 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116705991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).