8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine

C12H8FN5 — CID 155044791

IUPAC8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine
SMILESNc1ncc(-c2ccnc(F)c2)c2ncncc12
InChIInChI=1S/C12H8FN5/c13-10-3-7(1-2-16-10)8-5-17-12(14)9-4-15-6-18-11(8)9/h1-6H,(H2,14,17)
InChIKeyKWIFHDTVUQWBRV-UHFFFAOYSA-N
MW241.23 g/mol
LogP1.81
Rot. Bonds1

About 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine

8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine (PubChem CID 155044791) has the molecular formula C12H8FN5 and a molecular weight of 241.23 g/mol. Its IUPAC name is 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine
PubChem CID155044791
Molecular FormulaC12H8FN5
Molecular Weight241.23 g/mol
Exact Mass241.08
IUPAC Name8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine
SMILESNc1ncc(-c2ccnc(F)c2)c2ncncc12
InChIInChI=1S/C12H8FN5/c13-10-3-7(1-2-16-10)8-5-17-12(14)9-4-15-6-18-11(8)9/h1-6H,(H2,14,17)
InChIKeyKWIFHDTVUQWBRV-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 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine?
The IUPAC name of 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine (CID 155044791) is 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine.
What is the SMILES notation for 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine?
The canonical SMILES for 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine is Nc1ncc(-c2ccnc(F)c2)c2ncncc12.
What is the InChIKey of 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine?
The InChIKey is KWIFHDTVUQWBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN5/c13-10-3-7(1-2-16-10)8-5-17-12(14)9-4-15-6-18-11(8)9/h1-6H,(H2,14,17).
What are the key properties of 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine?
8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-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 8-(2-fluoro-4-pyridinyl)pyrido[4,3-d]pyrimidin-5-amine is sourced from PubChem (CID 155044791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).