2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine

C18H12F2N6 — CID 16820868

IUPAC2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
SMILESFc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1
InChIInChI=1S/C18H12F2N6/c19-11-4-6-13(7-5-11)23-17-15-16(22-9-8-21-15)25-18(26-17)24-14-3-1-2-12(20)10-14/h1-10H,(H2,22,23,24,25,26)
InChIKeyVAXJLLMOWSSMRW-UHFFFAOYSA-N
MW350.33 g/mol
LogP4.19
Rot. Bonds4

About 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine

2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine (PubChem CID 16820868) has the molecular formula C18H12F2N6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
PubChem CID16820868
Molecular FormulaC18H12F2N6
Molecular Weight350.33 g/mol
Exact Mass350.11
IUPAC Name2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine
SMILESFc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1
InChIInChI=1S/C18H12F2N6/c19-11-4-6-13(7-5-11)23-17-15-16(22-9-8-21-15)25-18(26-17)24-14-3-1-2-12(20)10-14/h1-10H,(H2,22,23,24,25,26)
InChIKeyVAXJLLMOWSSMRW-UHFFFAOYSA-N
XLogP4.19
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
The IUPAC name of 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine (CID 16820868) is 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine is Fc1ccc(Nc2nc(Nc3cccc(F)c3)nc3nccnc23)cc1.
What is the InChIKey of 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
The InChIKey is VAXJLLMOWSSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N6/c19-11-4-6-13(7-5-11)23-17-15-16(22-9-8-21-15)25-18(26-17)24-14-3-1-2-12(20)10-14/h1-10H,(H2,22,23,24,25,26).
What are the key properties of 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine?
2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine has a molecular weight of 350.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluorophenyl)-4-N-(4-fluorophenyl)pteridine-2,4-diamine is sourced from PubChem (CID 16820868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).