4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline

C12H11Cl2N3 — CID 15436289

IUPAC4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C12H11Cl2N3/c1-17(2)9-5-3-8(4-6-9)12-15-10(13)7-11(14)16-12/h3-7H,1-2H3
InChIKeyRIOOZRCQPYGYBB-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.52
Rot. Bonds2

About 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline

4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline (PubChem CID 15436289) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline
PubChem CID15436289
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C12H11Cl2N3/c1-17(2)9-5-3-8(4-6-9)12-15-10(13)7-11(14)16-12/h3-7H,1-2H3
InChIKeyRIOOZRCQPYGYBB-UHFFFAOYSA-N
XLogP3.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline (CID 15436289) is 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline is CN(C)c1ccc(-c2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline?
The InChIKey is RIOOZRCQPYGYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-17(2)9-5-3-8(4-6-9)12-15-10(13)7-11(14)16-12/h3-7H,1-2H3.
What are the key properties of 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline?
4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline has a molecular weight of 268.15 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 15436289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).