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

C15H15ClN2O3 — CID 82840255

IUPAC5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(-c3cccc(Cl)c3)c(=O)[nH]2)O1
InChIInChI=1S/C15H15ClN2O3/c1-8-5-6-11(21-8)13-17-14(19)12(15(20)18-13)9-3-2-4-10(16)7-9/h2-4,7-8,11H,5-6H2,1H3,(H2,17,18,19,20)
InChIKeyNKCXZXYAQZTOGS-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.04
Rot. Bonds2

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

5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 82840255) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID82840255
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2nc(O)c(-c3cccc(Cl)c3)c(=O)[nH]2)O1
InChIInChI=1S/C15H15ClN2O3/c1-8-5-6-11(21-8)13-17-14(19)12(15(20)18-13)9-3-2-4-10(16)7-9/h2-4,7-8,11H,5-6H2,1H3,(H2,17,18,19,20)
InChIKeyNKCXZXYAQZTOGS-UHFFFAOYSA-N
XLogP3.04
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-chlorophenyl)-2-(2,2-dimethylcyclopropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 107925383
5-(3-chlorophenyl)-4-hydroxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 79441182
5-(3-chlorophenyl)-4-hydroxy-2-phenyl-1H-pyrimidin-6-one
CID 79431425
2-cyclopropyl-4-hydroxy-5-(3-methylphenyl)-1H-pyrimidin-6-one
CID 79416999
5-(3-chlorophenyl)-4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 79431771
2-(1-aminopropan-2-yl)-5-(3-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79440205
5-(3-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439793
5-(3-bromophenyl)-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115278466
4-hydroxy-2-(2-methylcyclopropyl)-5-phenyl-1H-pyrimidin-6-one
CID 65430258
5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 79431642
5-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79431640
5-(3-chlorophenyl)-4-hydroxy-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
CID 79429745

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (CID 82840255) is 5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is CC1CCC(c2nc(O)c(-c3cccc(Cl)c3)c(=O)[nH]2)O1.
What is the InChIKey of 5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is NKCXZXYAQZTOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-8-5-6-11(21-8)13-17-14(19)12(15(20)18-13)9-3-2-4-10(16)7-9/h2-4,7-8,11H,5-6H2,1H3,(H2,17,18,19,20).
What are the key properties of 5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
5-(3-chlorophenyl)-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 306.75 g/mol, XLogP of 3.04, 2 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-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82840255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).