5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine

C20H16N6O — CID 59374340

IUPAC5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cn1
InChIInChI=1S/C20H16N6O/c21-20-24-12-14(13-25-20)17-4-3-11-23-19(17)27-16-8-6-15(7-9-16)26-18-5-1-2-10-22-18/h1-13H,(H,22,26)(H2,21,24,25)
InChIKeyMLPHXTOWKZZEIT-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.05
Rot. Bonds5

About 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine

5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 59374340) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine
PubChem CID59374340
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cn1
InChIInChI=1S/C20H16N6O/c21-20-24-12-14(13-25-20)17-4-3-11-23-19(17)27-16-8-6-15(7-9-16)26-18-5-1-2-10-22-18/h1-13H,(H,22,26)(H2,21,24,25)
InChIKeyMLPHXTOWKZZEIT-UHFFFAOYSA-N
XLogP4.05
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine (CID 59374340) is 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2cccnc2Oc2ccc(Nc3ccccn3)cc2)cn1.
What is the InChIKey of 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is MLPHXTOWKZZEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c21-20-24-12-14(13-25-20)17-4-3-11-23-19(17)27-16-8-6-15(7-9-16)26-18-5-1-2-10-22-18/h1-13H,(H,22,26)(H2,21,24,25).
What are the key properties of 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine?
5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 356.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 59374340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).