N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine

C20H18N6 — CID 5329437

IUPACN-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cccnc3)n2)c1
InChIInChI=1S/C20H18N6/c1-14-10-15(2)12-17(11-14)24-20-23-7-5-18(25-20)26-9-8-22-19(26)16-4-3-6-21-13-16/h3-13H,1-2H3,(H,23,24,25)
InChIKeyZQFFEUAQGFFMDA-UHFFFAOYSA-N
MW342.41 g/mol
LogP4.08
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine (PubChem CID 5329437) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine
PubChem CID5329437
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC NameN-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cccnc3)n2)c1
InChIInChI=1S/C20H18N6/c1-14-10-15(2)12-17(11-14)24-20-23-7-5-18(25-20)26-9-8-22-19(26)16-4-3-6-21-13-16/h3-13H,1-2H3,(H,23,24,25)
InChIKeyZQFFEUAQGFFMDA-UHFFFAOYSA-N
XLogP4.08
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine (CID 5329437) is N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cccnc3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine?
The InChIKey is ZQFFEUAQGFFMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-14-10-15(2)12-17(11-14)24-20-23-7-5-18(25-20)26-9-8-22-19(26)16-4-3-6-21-13-16/h3-13H,1-2H3,(H,23,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine has a molecular weight of 342.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(2-pyridin-3-ylimidazol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 5329437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).