N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine

C28H31N3O6 — CID 151375324

IUPACN-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine
SMILESCOCCOCCOCCOc1cc(Nc2nccc(Oc3cccc4ccccc34)n2)cc(OC)c1
InChIInChI=1S/C28H31N3O6/c1-32-12-13-34-14-15-35-16-17-36-24-19-22(18-23(20-24)33-2)30-28-29-11-10-27(31-28)37-26-9-5-7-21-6-3-4-8-25(21)26/h3-11,18-20H,12-17H2,1-2H3,(H,29,30,31)
InChIKeyORHKBIKTRINNMR-UHFFFAOYSA-N
MW505.57 g/mol
LogP5.23
Rot. Bonds15

About N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine

N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine (PubChem CID 151375324) has the molecular formula C28H31N3O6 and a molecular weight of 505.57 g/mol. Its IUPAC name is N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine
PubChem CID151375324
Molecular FormulaC28H31N3O6
Molecular Weight505.57 g/mol
Exact Mass505.22
IUPAC NameN-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine
SMILESCOCCOCCOCCOc1cc(Nc2nccc(Oc3cccc4ccccc34)n2)cc(OC)c1
InChIInChI=1S/C28H31N3O6/c1-32-12-13-34-14-15-35-16-17-36-24-19-22(18-23(20-24)33-2)30-28-29-11-10-27(31-28)37-26-9-5-7-21-6-3-4-8-25(21)26/h3-11,18-20H,12-17H2,1-2H3,(H,29,30,31)
InChIKeyORHKBIKTRINNMR-UHFFFAOYSA-N
XLogP5.23
TPSA93.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine?
The IUPAC name of N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine (CID 151375324) is N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine?
The canonical SMILES for N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine is COCCOCCOCCOc1cc(Nc2nccc(Oc3cccc4ccccc34)n2)cc(OC)c1.
What is the InChIKey of N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine?
The InChIKey is ORHKBIKTRINNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O6/c1-32-12-13-34-14-15-35-16-17-36-24-19-22(18-23(20-24)33-2)30-28-29-11-10-27(31-28)37-26-9-5-7-21-6-3-4-8-25(21)26/h3-11,18-20H,12-17H2,1-2H3,(H,29,30,31).
What are the key properties of N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine?
N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine has a molecular weight of 505.57 g/mol, XLogP of 5.23, 15 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine is sourced from PubChem (CID 151375324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).