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

C15H14ClF3N4O2 — CID 19009610

IUPAC3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCN(C)/N=C/c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl
InChIInChI=1S/C15H14ClF3N4O2/c1-21(2)20-8-9-6-10(4-5-11(9)16)23-13(24)7-12(15(17,18)19)22(3)14(23)25/h4-8H,1-3H3/b20-8+
InChIKeyRZMRTIAIPMXNAN-DNTJNYDQSA-N
MW374.75 g/mol
LogP2.10
Rot. Bonds3

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

3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 19009610) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is 3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID19009610
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC Name3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCN(C)/N=C/c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl
InChIInChI=1S/C15H14ClF3N4O2/c1-21(2)20-8-9-6-10(4-5-11(9)16)23-13(24)7-12(15(17,18)19)22(3)14(23)25/h4-8H,1-3H3/b20-8+
InChIKeyRZMRTIAIPMXNAN-DNTJNYDQSA-N
XLogP2.10
TPSA59.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 19009610) is 3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is CN(C)/N=C/c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl.
What is the InChIKey of 3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is RZMRTIAIPMXNAN-DNTJNYDQSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c1-21(2)20-8-9-6-10(4-5-11(9)16)23-13(24)7-12(15(17,18)19)22(3)14(23)25/h4-8H,1-3H3/b20-8+.
What are the key properties of 3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione?
3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 374.75 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-[(E)-(dimethylhydrazinylidene)methyl]phenyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 19009610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).