3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

C15H15ClF3N3O3 — CID 15346142

IUPAC3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCON(C)Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl
InChIInChI=1S/C15H15ClF3N3O3/c1-20(25-3)8-9-6-10(4-5-11(9)16)22-13(23)7-12(15(17,18)19)21(2)14(22)24/h4-7H,8H2,1-3H3
InChIKeyJLZUGYJHGROIOE-UHFFFAOYSA-N
MW377.75 g/mol
LogP2.20
Rot. Bonds4

About 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 15346142) has the molecular formula C15H15ClF3N3O3 and a molecular weight of 377.75 g/mol. Its IUPAC name is 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID15346142
Molecular FormulaC15H15ClF3N3O3
Molecular Weight377.75 g/mol
Exact Mass377.08
IUPAC Name3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCON(C)Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl
InChIInChI=1S/C15H15ClF3N3O3/c1-20(25-3)8-9-6-10(4-5-11(9)16)22-13(23)7-12(15(17,18)19)21(2)14(22)24/h4-7H,8H2,1-3H3
InChIKeyJLZUGYJHGROIOE-UHFFFAOYSA-N
XLogP2.20
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 15346142) is 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CON(C)Cc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl.
What is the InChIKey of 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is JLZUGYJHGROIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O3/c1-20(25-3)8-9-6-10(4-5-11(9)16)22-13(23)7-12(15(17,18)19)21(2)14(22)24/h4-7H,8H2,1-3H3.
What are the key properties of 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 377.75 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-[[methoxy(methyl)amino]methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 15346142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).