N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide

C8H7Cl2F3N4 — CID 163243136

IUPACN'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(Cl)c(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C8H7Cl2F3N4/c1-17(2)3-14-7-15-5(9)4(6(10)16-7)8(11,12)13/h3H,1-2H3
InChIKeyBQSFNZBIQSUNQC-UHFFFAOYSA-N
MW287.07 g/mol
LogP3.02
Rot. Bonds2

About N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide

N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 163243136) has the molecular formula C8H7Cl2F3N4 and a molecular weight of 287.07 g/mol. Its IUPAC name is N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID163243136
Molecular FormulaC8H7Cl2F3N4
Molecular Weight287.07 g/mol
Exact Mass286.00
IUPAC NameN'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(Cl)c(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C8H7Cl2F3N4/c1-17(2)3-14-7-15-5(9)4(6(10)16-7)8(11,12)13/h3H,1-2H3
InChIKeyBQSFNZBIQSUNQC-UHFFFAOYSA-N
XLogP3.02
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.07
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide (CID 163243136) is N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc(Cl)c(C(F)(F)F)c(Cl)n1.
What is the InChIKey of N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is BQSFNZBIQSUNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F3N4/c1-17(2)3-14-7-15-5(9)4(6(10)16-7)8(11,12)13/h3H,1-2H3.
What are the key properties of N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 287.07 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4,6-dichloro-5-(trifluoromethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 163243136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).