N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine

C11H9Cl3N4 — CID 87337521

IUPACN,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine
SMILESCN(C)c1ccnc(-c2nc(Cl)c(Cl)c(Cl)n2)c1
InChIInChI=1S/C11H9Cl3N4/c1-18(2)6-3-4-15-7(5-6)11-16-9(13)8(12)10(14)17-11/h3-5H,1-2H3
InChIKeyAUAFZPLIMAQMJJ-UHFFFAOYSA-N
MW303.58 g/mol
LogP3.56
Rot. Bonds2

About N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine

N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine (PubChem CID 87337521) has the molecular formula C11H9Cl3N4 and a molecular weight of 303.58 g/mol. Its IUPAC name is N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine
PubChem CID87337521
Molecular FormulaC11H9Cl3N4
Molecular Weight303.58 g/mol
Exact Mass301.99
IUPAC NameN,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine
SMILESCN(C)c1ccnc(-c2nc(Cl)c(Cl)c(Cl)n2)c1
InChIInChI=1S/C11H9Cl3N4/c1-18(2)6-3-4-15-7(5-6)11-16-9(13)8(12)10(14)17-11/h3-5H,1-2H3
InChIKeyAUAFZPLIMAQMJJ-UHFFFAOYSA-N
XLogP3.56
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine?
The IUPAC name of N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine (CID 87337521) is N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine is CN(C)c1ccnc(-c2nc(Cl)c(Cl)c(Cl)n2)c1.
What is the InChIKey of N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine?
The InChIKey is AUAFZPLIMAQMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N4/c1-18(2)6-3-4-15-7(5-6)11-16-9(13)8(12)10(14)17-11/h3-5H,1-2H3.
What are the key properties of N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine?
N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine has a molecular weight of 303.58 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(4,5,6-trichloropyrimidin-2-yl)pyridin-4-amine is sourced from PubChem (CID 87337521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).