8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one

C17H16FN5O2 — CID 3233133

IUPAC8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one
SMILESO=c1cnc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FN5O2/c18-13-3-1-12(2-4-13)11-23-15(24)10-19-14-9-20-17(21-16(14)23)22-5-7-25-8-6-22/h1-4,9-10H,5-8,11H2
InChIKeyBPNRRPXFBORMOG-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.21
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one

8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one (PubChem CID 3233133) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one
PubChem CID3233133
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one
SMILESO=c1cnc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1
InChIInChI=1S/C17H16FN5O2/c18-13-3-1-12(2-4-13)11-23-15(24)10-19-14-9-20-17(21-16(14)23)22-5-7-25-8-6-22/h1-4,9-10H,5-8,11H2
InChIKeyBPNRRPXFBORMOG-UHFFFAOYSA-N
XLogP1.21
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one 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 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one (CID 3233133) is 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one is O=c1cnc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The InChIKey is BPNRRPXFBORMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-13-3-1-12(2-4-13)11-23-15(24)10-19-14-9-20-17(21-16(14)23)22-5-7-25-8-6-22/h1-4,9-10H,5-8,11H2.
What are the key properties of 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one has a molecular weight of 341.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3233133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).