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

C14H17N3 — CID 119065879

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline
SMILESCc1cc(C)nc(-c2ccccc2N(C)C)n1
InChIInChI=1S/C14H17N3/c1-10-9-11(2)16-14(15-10)12-7-5-6-8-13(12)17(3)4/h5-9H,1-4H3
InChIKeyMIWPOWLFQOMVKO-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.83
Rot. Bonds2

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

2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline (PubChem CID 119065879) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline
PubChem CID119065879
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline
SMILESCc1cc(C)nc(-c2ccccc2N(C)C)n1
InChIInChI=1S/C14H17N3/c1-10-9-11(2)16-14(15-10)12-7-5-6-8-13(12)17(3)4/h5-9H,1-4H3
InChIKeyMIWPOWLFQOMVKO-UHFFFAOYSA-N
XLogP2.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline (CID 119065879) is 2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline is Cc1cc(C)nc(-c2ccccc2N(C)C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline?
The InChIKey is MIWPOWLFQOMVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-9-11(2)16-14(15-10)12-7-5-6-8-13(12)17(3)4/h5-9H,1-4H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline?
2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline has a molecular weight of 227.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 119065879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).