N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine

C17H16N4 — CID 14347048

IUPACN-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H16N4/c1-12-9-13(2)11-14(10-12)20-17-19-8-6-16(21-17)15-5-3-4-7-18-15/h3-11H,1-2H3,(H,19,20,21)
InChIKeyJSDQUETYBDUXHP-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.90
Rot. Bonds3

About N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 14347048) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID14347048
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ccccn3)n2)c1
InChIInChI=1S/C17H16N4/c1-12-9-13(2)11-14(10-12)20-17-19-8-6-16(21-17)15-5-3-4-7-18-15/h3-11H,1-2H3,(H,19,20,21)
InChIKeyJSDQUETYBDUXHP-UHFFFAOYSA-N
XLogP3.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine (CID 14347048) is N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3ccccn3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is JSDQUETYBDUXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-12-9-13(2)11-14(10-12)20-17-19-8-6-16(21-17)15-5-3-4-7-18-15/h3-11H,1-2H3,(H,19,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 276.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 14347048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).