5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine

C13H12Cl2N4 — CID 129259679

IUPAC5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
SMILESC=Cc1cc(-c2nc(Cl)ncc2Cl)cnc1N(C)C
InChIInChI=1S/C13H12Cl2N4/c1-4-8-5-9(6-16-12(8)19(2)3)11-10(14)7-17-13(15)18-11/h4-7H,1H2,2-3H3
InChIKeyRQMLABWOAGDRTB-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.55
Rot. Bonds3

About 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine

5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine (PubChem CID 129259679) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
PubChem CID129259679
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC Name5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine
SMILESC=Cc1cc(-c2nc(Cl)ncc2Cl)cnc1N(C)C
InChIInChI=1S/C13H12Cl2N4/c1-4-8-5-9(6-16-12(8)19(2)3)11-10(14)7-17-13(15)18-11/h4-7H,1H2,2-3H3
InChIKeyRQMLABWOAGDRTB-UHFFFAOYSA-N
XLogP3.55
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine (CID 129259679) is 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine is C=Cc1cc(-c2nc(Cl)ncc2Cl)cnc1N(C)C.
What is the InChIKey of 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine?
The InChIKey is RQMLABWOAGDRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/c1-4-8-5-9(6-16-12(8)19(2)3)11-10(14)7-17-13(15)18-11/h4-7H,1H2,2-3H3.
What are the key properties of 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine?
5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine has a molecular weight of 295.17 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichloropyrimidin-4-yl)-3-ethenyl-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 129259679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).