4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline

C12H10Cl2FN3 — CID 80551027

IUPAC4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1
InChIInChI=1S/C12H10Cl2FN3/c1-18(2)8-5-3-7(4-6-8)12-16-10(13)9(15)11(14)17-12/h3-6H,1-2H3
InChIKeyJKGHLYAITFKAHO-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.66
Rot. Bonds2

About 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline

4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline (PubChem CID 80551027) has the molecular formula C12H10Cl2FN3 and a molecular weight of 286.14 g/mol. Its IUPAC name is 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline
PubChem CID80551027
Molecular FormulaC12H10Cl2FN3
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1
InChIInChI=1S/C12H10Cl2FN3/c1-18(2)8-5-3-7(4-6-8)12-16-10(13)9(15)11(14)17-12/h3-6H,1-2H3
InChIKeyJKGHLYAITFKAHO-UHFFFAOYSA-N
XLogP3.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline (CID 80551027) is 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(Cl)c(F)c(Cl)n2)cc1.
What is the InChIKey of 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline?
The InChIKey is JKGHLYAITFKAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3/c1-18(2)8-5-3-7(4-6-8)12-16-10(13)9(15)11(14)17-12/h3-6H,1-2H3.
What are the key properties of 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline?
4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline has a molecular weight of 286.14 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dichloro-5-fluoropyrimidin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 80551027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).