5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione

C12H8ClF3N2O3 — CID 66424380

IUPAC5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C12H8ClF3N2O3/c13-9-6-18(11(20)17-10(9)19)5-7-1-3-8(4-2-7)21-12(14,15)16/h1-4,6H,5H2,(H,17,19,20)
InChIKeyIRLUJXJPHMEHRY-UHFFFAOYSA-N
MW320.65 g/mol
LogP2.14
Rot. Bonds3

About 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione

5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione (PubChem CID 66424380) has the molecular formula C12H8ClF3N2O3 and a molecular weight of 320.65 g/mol. Its IUPAC name is 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione
PubChem CID66424380
Molecular FormulaC12H8ClF3N2O3
Molecular Weight320.65 g/mol
Exact Mass320.02
IUPAC Name5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(OC(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C12H8ClF3N2O3/c13-9-6-18(11(20)17-10(9)19)5-7-1-3-8(4-2-7)21-12(14,15)16/h1-4,6H,5H2,(H,17,19,20)
InChIKeyIRLUJXJPHMEHRY-UHFFFAOYSA-N
XLogP2.14
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.65
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]benzohydrazide
CID 66424002
1-ethyl-3-[[4-(trifluoromethoxy)phenyl]methyl]imidazol-2-one
CID 116624187
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 66425761
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 3069741
5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
CID 66330934
4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 115614090
4-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106793156
5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione
CID 81113908
5-bromo-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 55237113
5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 106994229
5-amino-1-[(3,4-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 63799374
1-benzyl-5-hydroxypyrimidine-2,4-dione
CID 130005673

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione (CID 66424380) is 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(OC(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione?
The InChIKey is IRLUJXJPHMEHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3N2O3/c13-9-6-18(11(20)17-10(9)19)5-7-1-3-8(4-2-7)21-12(14,15)16/h1-4,6H,5H2,(H,17,19,20).
What are the key properties of 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione?
5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione has a molecular weight of 320.65 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66424380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).