N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

C22H19N5O2 — CID 22732369

IUPACN-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C22H19N5O2/c1-28-15-9-10-20(29-2)19(13-15)25-21-14-18(16-7-3-5-11-23-16)26-22(27-21)17-8-4-6-12-24-17/h3-14H,1-2H3,(H,25,26,27)
InChIKeyXOFRTQBPJBUNBO-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.36
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (PubChem CID 22732369) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
PubChem CID22732369
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCOc1ccc(OC)c(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)c1
InChIInChI=1S/C22H19N5O2/c1-28-15-9-10-20(29-2)19(13-15)25-21-14-18(16-7-3-5-11-23-16)26-22(27-21)17-8-4-6-12-24-17/h3-14H,1-2H3,(H,25,26,27)
InChIKeyXOFRTQBPJBUNBO-UHFFFAOYSA-N
XLogP4.36
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (CID 22732369) is N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is COc1ccc(OC)c(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The InChIKey is XOFRTQBPJBUNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-28-15-9-10-20(29-2)19(13-15)25-21-14-18(16-7-3-5-11-23-16)26-22(27-21)17-8-4-6-12-24-17/h3-14H,1-2H3,(H,25,26,27).
What are the key properties of N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine has a molecular weight of 385.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 22732369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).