N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide

C15H20IN3O2 — CID 173353813

IUPACN-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide
SMILESCCN(CCOc1ccccc1OC)c1ncccn1.I
InChIInChI=1S/C15H19N3O2.HI/c1-3-18(15-16-9-6-10-17-15)11-12-20-14-8-5-4-7-13(14)19-2;/h4-10H,3,11-12H2,1-2H3;1H
InChIKeyQYNIHYXSBNBLQG-UHFFFAOYSA-N
MW401.25 g/mol
LogP3.01
Rot. Bonds7

About N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide

N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide (PubChem CID 173353813) has the molecular formula C15H20IN3O2 and a molecular weight of 401.25 g/mol. Its IUPAC name is N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide.

Molecular Properties

Compound NameN-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide
PubChem CID173353813
Molecular FormulaC15H20IN3O2
Molecular Weight401.25 g/mol
Exact Mass401.06
IUPAC NameN-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide
SMILESCCN(CCOc1ccccc1OC)c1ncccn1.I
InChIInChI=1S/C15H19N3O2.HI/c1-3-18(15-16-9-6-10-17-15)11-12-20-14-8-5-4-7-13(14)19-2;/h4-10H,3,11-12H2,1-2H3;1H
InChIKeyQYNIHYXSBNBLQG-UHFFFAOYSA-N
XLogP3.01
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide?
The IUPAC name of N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide (CID 173353813) is N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide.
What is the SMILES notation for N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide?
The canonical SMILES for N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide is CCN(CCOc1ccccc1OC)c1ncccn1.I.
What is the InChIKey of N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide?
The InChIKey is QYNIHYXSBNBLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.HI/c1-3-18(15-16-9-6-10-17-15)11-12-20-14-8-5-4-7-13(14)19-2;/h4-10H,3,11-12H2,1-2H3;1H.
What are the key properties of N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide?
N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide has a molecular weight of 401.25 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(2-methoxyphenoxy)ethyl]pyrimidin-2-amine;hydroiodide is sourced from PubChem (CID 173353813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).