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

C12H8FN5 — CID 72703518

IUPAC6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3ccnc(F)c3)nc12
InChIInChI=1S/C12H8FN5/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9/h1-6H,(H2,14,16,17)
InChIKeyCLODUYRNZMIONW-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.81
Rot. Bonds1

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

6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 72703518) has the molecular formula C12H8FN5 and a molecular weight of 241.23 g/mol. Its IUPAC name is 6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID72703518
Molecular FormulaC12H8FN5
Molecular Weight241.23 g/mol
Exact Mass241.08
IUPAC Name6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(-c3ccnc(F)c3)nc12
InChIInChI=1S/C12H8FN5/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9/h1-6H,(H2,14,16,17)
InChIKeyCLODUYRNZMIONW-UHFFFAOYSA-N
XLogP1.81
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine (CID 72703518) is 6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(-c3ccnc(F)c3)nc12.
What is the InChIKey of 6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is CLODUYRNZMIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9/h1-6H,(H2,14,16,17).
What are the key properties of 6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine?
6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 241.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-pyridinyl)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 72703518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).