4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine

C30H44N10O3 — CID 71111889

IUPAC4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine
SMILESc1ccc(-c2nc(NCCN3CCOCC3)c3nc(NCCN4CCOCC4)c(NCCN4CCOCC4)nc3n2)cc1
InChIInChI=1S/C30H44N10O3/c1-2-4-24(5-3-1)26-35-27(31-6-9-38-12-18-41-19-13-38)25-28(36-26)37-30(33-8-11-40-16-22-43-23-17-40)29(34-25)32-7-10-39-14-20-42-21-15-39/h1-5H,6-23H2,(H,32,34)(H2,31,33,35,36,37)
InChIKeyFOPJIYREMUXSGN-UHFFFAOYSA-N
MW592.75 g/mol
LogP1.32
Rot. Bonds13

About 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine

4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine (PubChem CID 71111889) has the molecular formula C30H44N10O3 and a molecular weight of 592.75 g/mol. Its IUPAC name is 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine.

Molecular Properties

Compound Name4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine
PubChem CID71111889
Molecular FormulaC30H44N10O3
Molecular Weight592.75 g/mol
Exact Mass592.36
IUPAC Name4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine
SMILESc1ccc(-c2nc(NCCN3CCOCC3)c3nc(NCCN4CCOCC4)c(NCCN4CCOCC4)nc3n2)cc1
InChIInChI=1S/C30H44N10O3/c1-2-4-24(5-3-1)26-35-27(31-6-9-38-12-18-41-19-13-38)25-28(36-26)37-30(33-8-11-40-16-22-43-23-17-40)29(34-25)32-7-10-39-14-20-42-21-15-39/h1-5H,6-23H2,(H,32,34)(H2,31,33,35,36,37)
InChIKeyFOPJIYREMUXSGN-UHFFFAOYSA-N
XLogP1.32
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine?
The IUPAC name of 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine (CID 71111889) is 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine.
What is the SMILES notation for 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine?
The canonical SMILES for 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine is c1ccc(-c2nc(NCCN3CCOCC3)c3nc(NCCN4CCOCC4)c(NCCN4CCOCC4)nc3n2)cc1.
What is the InChIKey of 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine?
The InChIKey is FOPJIYREMUXSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44N10O3/c1-2-4-24(5-3-1)26-35-27(31-6-9-38-12-18-41-19-13-38)25-28(36-26)37-30(33-8-11-40-16-22-43-23-17-40)29(34-25)32-7-10-39-14-20-42-21-15-39/h1-5H,6-23H2,(H,32,34)(H2,31,33,35,36,37).
What are the key properties of 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine?
4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine has a molecular weight of 592.75 g/mol, XLogP of 1.32, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,7-N-tris(2-morpholin-4-ylethyl)-2-phenylpteridine-4,6,7-triamine is sourced from PubChem (CID 71111889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).