7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine

C20H18N6 — CID 110171919

IUPAC7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine
SMILESNc1nc(NCCc2ccccc2)c2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H18N6/c21-20-25-18(22-12-11-14-7-3-1-4-8-14)17-19(26-20)24-16(13-23-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H3,21,22,24,25,26)
InChIKeyNRDKNGIHJYTQDG-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.32
Rot. Bonds5

About 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine

7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine (PubChem CID 110171919) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine
PubChem CID110171919
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine
SMILESNc1nc(NCCc2ccccc2)c2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C20H18N6/c21-20-25-18(22-12-11-14-7-3-1-4-8-14)17-19(26-20)24-16(13-23-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H3,21,22,24,25,26)
InChIKeyNRDKNGIHJYTQDG-UHFFFAOYSA-N
XLogP3.32
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine 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 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine?
The IUPAC name of 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine (CID 110171919) is 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine.
What is the SMILES notation for 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine?
The canonical SMILES for 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine is Nc1nc(NCCc2ccccc2)c2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine?
The InChIKey is NRDKNGIHJYTQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c21-20-25-18(22-12-11-14-7-3-1-4-8-14)17-19(26-20)24-16(13-23-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H3,21,22,24,25,26).
What are the key properties of 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine?
7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine has a molecular weight of 342.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-4-N-(2-phenylethyl)pteridine-2,4-diamine is sourced from PubChem (CID 110171919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).