6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione

C13H10Cl3FN2O2 — CID 107581193

IUPAC6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(-c2cc(Cl)c(F)c(Cl)c2)c1=O
InChIInChI=1S/C13H10Cl3FN2O2/c1-2-3-7-11(16)18-13(21)19(12(7)20)6-4-8(14)10(17)9(15)5-6/h4-5H,2-3H2,1H3,(H,18,21)
InChIKeyUESQGYIZZIPRKL-UHFFFAOYSA-N
MW351.59 g/mol
LogP3.58
Rot. Bonds3

About 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione

6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 107581193) has the molecular formula C13H10Cl3FN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID107581193
Molecular FormulaC13H10Cl3FN2O2
Molecular Weight351.59 g/mol
Exact Mass349.98
IUPAC Name6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(-c2cc(Cl)c(F)c(Cl)c2)c1=O
InChIInChI=1S/C13H10Cl3FN2O2/c1-2-3-7-11(16)18-13(21)19(12(7)20)6-4-8(14)10(17)9(15)5-6/h4-5H,2-3H2,1H3,(H,18,21)
InChIKeyUESQGYIZZIPRKL-UHFFFAOYSA-N
XLogP3.58
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-propyl-1H-pyrimidine-2,4-dione
CID 107795706
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 107581190
6-chloro-3-(3-chloro-5-fluorophenyl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 107371242
6-chloro-5-ethyl-3-(4-iodophenyl)-1H-pyrimidine-2,4-dione
CID 113404466
3-chloro-4-(3,5-dichloro-4-fluorophenyl)-5-propyl-1,2,4-triazole
CID 107579539
6-chloro-3-hexyl-5-propyl-1H-pyrimidine-2,4-dione
CID 113404730
6-chloro-5-fluoro-3-(2,4,5-trichlorophenyl)-1H-pyrimidine-2,4-dione
CID 113404427
4-(3,5-dichloro-4-fluorophenyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 107579362
6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107854464
1-chloro-2,4,5-trifluoro-3-propylbenzene
CID 144809171
6-chloro-5-propyl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 113404475
6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 113479595

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione (CID 107581193) is 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(Cl)[nH]c(=O)n(-c2cc(Cl)c(F)c(Cl)c2)c1=O.
What is the InChIKey of 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is UESQGYIZZIPRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3FN2O2/c1-2-3-7-11(16)18-13(21)19(12(7)20)6-4-8(14)10(17)9(15)5-6/h4-5H,2-3H2,1H3,(H,18,21).
What are the key properties of 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione?
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 351.59 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107581193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).