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

C9H9Cl2F3N4 — CID 163247640

IUPACN'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(Cl)c(CC(F)(F)F)c(Cl)n1
InChIInChI=1S/C9H9Cl2F3N4/c1-18(2)4-15-8-16-6(10)5(7(11)17-8)3-9(12,13)14/h4H,3H2,1-2H3/b15-4+
InChIKeyQIPYCXNIFOFFJR-SYZQJQIISA-N
MW301.10 g/mol
LogP3.11
Rot. Bonds3

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

N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 163247640) has the molecular formula C9H9Cl2F3N4 and a molecular weight of 301.10 g/mol. Its IUPAC name is N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
PubChem CID163247640
Molecular FormulaC9H9Cl2F3N4
Molecular Weight301.10 g/mol
Exact Mass300.02
IUPAC NameN'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(Cl)c(CC(F)(F)F)c(Cl)n1
InChIInChI=1S/C9H9Cl2F3N4/c1-18(2)4-15-8-16-6(10)5(7(11)17-8)3-9(12,13)14/h4H,3H2,1-2H3/b15-4+
InChIKeyQIPYCXNIFOFFJR-SYZQJQIISA-N
XLogP3.11
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 53.11
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide (CID 163247640) is N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc(Cl)c(CC(F)(F)F)c(Cl)n1.
What is the InChIKey of N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is QIPYCXNIFOFFJR-SYZQJQIISA-N. The full InChI is InChI=1S/C9H9Cl2F3N4/c1-18(2)4-15-8-16-6(10)5(7(11)17-8)3-9(12,13)14/h4H,3H2,1-2H3/b15-4+.
What are the key properties of N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide?
N'-[4,6-dichloro-5-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 301.10 g/mol, XLogP of 3.11, 3 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-(2,2,2-trifluoroethyl)pyrimidin-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 163247640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).