3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione

C14H15ClN2O2 — CID 113404314

IUPAC3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c(Cl)c(-c2ccccc2)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-3-9(2)17-13(18)11(12(15)16-14(17)19)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,19)
InChIKeyZIGVMLZIQGXWBJ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.83
Rot. Bonds3

About 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione

3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 113404314) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione
PubChem CID113404314
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c(Cl)c(-c2ccccc2)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-3-9(2)17-13(18)11(12(15)16-14(17)19)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,19)
InChIKeyZIGVMLZIQGXWBJ-UHFFFAOYSA-N
XLogP2.83
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-ethyl-5-phenyl-2-sulfanylidene-1H-pyrimidin-4-one
CID 88817038
5-(3-bromophenyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 113404386
1-hexan-3-yl-6-hydroxy-5-phenylpyrimidine-2,4-dione
CID 115947840
5-(2-amino-2-phenylethyl)-6-chloro-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 121412410
3-butan-2-yl-5-methyl-1H-benzimidazol-2-one
CID 163842228
6-hydroxy-1-(3-methylbutan-2-yl)-5-phenylpyrimidine-2,4-dione
CID 115945962
1-butan-2-yl-6-methylpyrimidine-2,4-dione
CID 67797198
2-butan-2-yl-5-phenyl-1H-pyrazol-3-one
CID 66020881
6-chloro-5-methyl-3-(6-methylheptan-2-yl)-1H-pyrimidine-2,4-dione
CID 113404633
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
6-phenyl-3-propan-2-yl-1H-pyrimidine-2,4-dione
CID 67265851
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione (CID 113404314) is 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione is CCC(C)n1c(=O)[nH]c(Cl)c(-c2ccccc2)c1=O.
What is the InChIKey of 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZIGVMLZIQGXWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-9(2)17-13(18)11(12(15)16-14(17)19)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,16,19).
What are the key properties of 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione?
3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-chloro-5-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).