N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine

C18H19N5O2 — CID 59374256

IUPACN-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESCOCCNc1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C18H19N5O2/c1-24-13-12-21-17-18(22-11-10-20-17)25-15-7-5-14(6-8-15)23-16-4-2-3-9-19-16/h2-11H,12-13H2,1H3,(H,19,23)(H,20,21)
InChIKeyUGOYLDLWHYTYLC-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.47
Rot. Bonds8

About N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine

N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (PubChem CID 59374256) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
PubChem CID59374256
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine
SMILESCOCCNc1nccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C18H19N5O2/c1-24-13-12-21-17-18(22-11-10-20-17)25-15-7-5-14(6-8-15)23-16-4-2-3-9-19-16/h2-11H,12-13H2,1H3,(H,19,23)(H,20,21)
InChIKeyUGOYLDLWHYTYLC-UHFFFAOYSA-N
XLogP3.47
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine (CID 59374256) is N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is COCCNc1nccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
The InChIKey is UGOYLDLWHYTYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-24-13-12-21-17-18(22-11-10-20-17)25-15-7-5-14(6-8-15)23-16-4-2-3-9-19-16/h2-11H,12-13H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine?
N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine has a molecular weight of 337.38 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-(pyridin-2-ylamino)phenoxy]pyrazin-2-amine is sourced from PubChem (CID 59374256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).