3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C12H7Cl2F3N2O3 — CID 134115598

IUPAC3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCOc1c(Cl)cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1Cl
InChIInChI=1S/C12H7Cl2F3N2O3/c1-22-10-6(13)2-5(3-7(10)14)19-9(20)4-8(12(15,16)17)18-11(19)21/h2-4H,1H3,(H,18,21)
InChIKeyCTVYALJJVGORIZ-UHFFFAOYSA-N
MW355.10 g/mol
LogP2.86
Rot. Bonds2

About 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 134115598) has the molecular formula C12H7Cl2F3N2O3 and a molecular weight of 355.10 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID134115598
Molecular FormulaC12H7Cl2F3N2O3
Molecular Weight355.10 g/mol
Exact Mass353.98
IUPAC Name3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESCOc1c(Cl)cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1Cl
InChIInChI=1S/C12H7Cl2F3N2O3/c1-22-10-6(13)2-5(3-7(10)14)19-9(20)4-8(12(15,16)17)18-11(19)21/h2-4H,1H3,(H,18,21)
InChIKeyCTVYALJJVGORIZ-UHFFFAOYSA-N
XLogP2.86
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-iodo-3,5-dimethoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 134115870
3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 10968150
3-(3-chloro-5-fluorothiophen-2-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 163286762
3-[3-(2-methoxy-5-methylphenyl)-1,2-benzothiazol-5-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 11154742
4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-ethyl-6-methylphenoxy)benzonitrile
CID 156716033
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 107581190
3-[4-chloro-3-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 153426104
3-[3-(2-chloroacetyl)phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 19009607
3-[4-chloro-5-[(E)-ethoxyiminomethyl]-2-fluorophenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 21462903
6-(1,1-difluorobut-3-enyl)-3-(4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 11522411
3-[4-chloro-2-fluoro-5-[(6-fluoro-2-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 12056185
3-[5-(4-aminophenoxy)-4-chloro-2-fluorophenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 18403007

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 134115598) is 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is COc1c(Cl)cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)cc1Cl.
What is the InChIKey of 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is CTVYALJJVGORIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F3N2O3/c1-22-10-6(13)2-5(3-7(10)14)19-9(20)4-8(12(15,16)17)18-11(19)21/h2-4H,1H3,(H,18,21).
What are the key properties of 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 355.10 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-methoxyphenyl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134115598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).