6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione

C12H11ClN2O2 — CID 23648519

IUPAC6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)cc(-c2c(Cl)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11ClN2O2/c1-6-3-7(2)5-8(4-6)9-10(13)14-12(17)15-11(9)16/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyDGJASMNUPJUOQH-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.00
Rot. Bonds1

About 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione

6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 23648519) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID23648519
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)cc(-c2c(Cl)[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C12H11ClN2O2/c1-6-3-7(2)5-8(4-6)9-10(13)14-12(17)15-11(9)16/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyDGJASMNUPJUOQH-UHFFFAOYSA-N
XLogP2.00
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pheneturide
CID 72060
Acetylpheneturide
CID 1999
5-benzyl-6-chloro-1H-pyrimidine-2,4-dione
CID 23648513
5-Phenyluracil
CID 287110
6-Chloro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648518
6-Chloro-5-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648521
6-Fluoro-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648527
6-Chloro-5-(naphthalen-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648520
6-Bromo-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648528
6-Methyl-5-phenyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 13740570
6-Methoxy-1-(phenylacetyl)-2,4(1H,3H)-pyrimidinedione
CID 750201
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-(4-fluorophenyl)acetamide
CID 2148457

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione (CID 23648519) is 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione is Cc1cc(C)cc(-c2c(Cl)[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is DGJASMNUPJUOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-6-3-7(2)5-8(4-6)9-10(13)14-12(17)15-11(9)16/h3-5H,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 250.69 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(3,5-dimethylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).