N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine

C20H17N5 — CID 58174286

IUPACN-[2-(4-phenylphenyl)ethyl]pteridin-4-amine
SMILESc1ccc(-c2ccc(CCNc3ncnc4nccnc34)cc2)cc1
InChIInChI=1S/C20H17N5/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)10-11-22-19-18-20(25-14-24-19)23-13-12-21-18/h1-9,12-14H,10-11H2,(H,22,23,24,25)
InChIKeyJHTBCZLZOFBYRZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine

N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine (PubChem CID 58174286) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-(4-phenylphenyl)ethyl]pteridin-4-amine
PubChem CID58174286
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-[2-(4-phenylphenyl)ethyl]pteridin-4-amine
SMILESc1ccc(-c2ccc(CCNc3ncnc4nccnc34)cc2)cc1
InChIInChI=1S/C20H17N5/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)10-11-22-19-18-20(25-14-24-19)23-13-12-21-18/h1-9,12-14H,10-11H2,(H,22,23,24,25)
InChIKeyJHTBCZLZOFBYRZ-UHFFFAOYSA-N
XLogP3.74
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine?
The IUPAC name of N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine (CID 58174286) is N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine is c1ccc(-c2ccc(CCNc3ncnc4nccnc34)cc2)cc1.
What is the InChIKey of N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine?
The InChIKey is JHTBCZLZOFBYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-2-4-16(5-3-1)17-8-6-15(7-9-17)10-11-22-19-18-20(25-14-24-19)23-13-12-21-18/h1-9,12-14H,10-11H2,(H,22,23,24,25).
What are the key properties of N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine?
N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine is sourced from PubChem (CID 58174286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).