6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine

C13H9FN4 — CID 86703914

IUPAC6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cccc(F)c3)nc12
InChIInChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)
InChIKeyTWTLUQDFSDYZKO-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.41
Rot. Bonds1

About 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine

6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 86703914) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID86703914
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3cccc(F)c3)nc12
InChIInChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)
InChIKeyTWTLUQDFSDYZKO-UHFFFAOYSA-N
XLogP2.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine (CID 86703914) is 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(-c3cccc(F)c3)nc12.
What is the InChIKey of 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is TWTLUQDFSDYZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17).
What are the key properties of 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine?
6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 240.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 86703914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).