5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione

C15H17ClN2O3 — CID 115946168

IUPAC5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
SMILESCC(C)CCn1c(O)c(-c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C15H17ClN2O3/c1-9(2)7-8-18-14(20)12(13(19)17-15(18)21)10-5-3-4-6-11(10)16/h3-6,9,20H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyMVHQAVMAEDWQOJ-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.61
Rot. Bonds4

About 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione

5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione (PubChem CID 115946168) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
PubChem CID115946168
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
SMILESCC(C)CCn1c(O)c(-c2ccccc2Cl)c(=O)[nH]c1=O
InChIInChI=1S/C15H17ClN2O3/c1-9(2)7-8-18-14(20)12(13(19)17-15(18)21)10-5-3-4-6-11(10)16/h3-6,9,20H,7-8H2,1-2H3,(H,17,19,21)
InChIKeyMVHQAVMAEDWQOJ-UHFFFAOYSA-N
XLogP2.61
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946162
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
5-(2-fluorophenyl)-6-hydroxy-1-propylpyrimidine-2,4-dione
CID 112598483
6-hydroxy-5-methyl-1-(3-phenylbutyl)pyrimidine-2,4-dione
CID 115948134
5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222291
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
3-[5-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946840
2-(1-chloroethyl)-5-(2-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 80663741
4-(2-chlorophenyl)-9-hydroxy-6-(3-methylbutyl)pyrrolo[3,4-c]carbazole-1,3-dione
CID 11843432
6-(2-chlorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
CID 86213682
3-(2-chlorophenyl)-4-hydroxy-6-methyl-1H-pyridin-2-one
CID 54719903
1-but-3-ynyl-5-(3-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115948238

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione (CID 115946168) is 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione is CC(C)CCn1c(O)c(-c2ccccc2Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione?
The InChIKey is MVHQAVMAEDWQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-9(2)7-8-18-14(20)12(13(19)17-15(18)21)10-5-3-4-6-11(10)16/h3-6,9,20H,7-8H2,1-2H3,(H,17,19,21).
What are the key properties of 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione?
5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione has a molecular weight of 308.76 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 115946168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).