8-fluoropyrido[4,3-d]pyrimidin-4-amine

C7H5FN4 — CID 131699662

IUPAC8-fluoropyrido[4,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c(F)cncc12
InChIInChI=1S/C7H5FN4/c8-5-2-10-1-4-6(5)11-3-12-7(4)9/h1-3H,(H2,9,11,12)
InChIKeyUCJXBNHCQRTWHI-UHFFFAOYSA-N
MW164.14 g/mol
LogP0.75
Rot. Bonds

About 8-fluoropyrido[4,3-d]pyrimidin-4-amine

8-fluoropyrido[4,3-d]pyrimidin-4-amine (PubChem CID 131699662) has the molecular formula C7H5FN4 and a molecular weight of 164.14 g/mol. Its IUPAC name is 8-fluoropyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-fluoropyrido[4,3-d]pyrimidin-4-amine
PubChem CID131699662
Molecular FormulaC7H5FN4
Molecular Weight164.14 g/mol
Exact Mass164.05
IUPAC Name8-fluoropyrido[4,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c(F)cncc12
InChIInChI=1S/C7H5FN4/c8-5-2-10-1-4-6(5)11-3-12-7(4)9/h1-3H,(H2,9,11,12)
InChIKeyUCJXBNHCQRTWHI-UHFFFAOYSA-N
XLogP0.75
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoropyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 8-fluoropyrido[4,3-d]pyrimidin-4-amine (CID 131699662) is 8-fluoropyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 8-fluoropyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 8-fluoropyrido[4,3-d]pyrimidin-4-amine is Nc1ncnc2c(F)cncc12.
What is the InChIKey of 8-fluoropyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is UCJXBNHCQRTWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4/c8-5-2-10-1-4-6(5)11-3-12-7(4)9/h1-3H,(H2,9,11,12).
What are the key properties of 8-fluoropyrido[4,3-d]pyrimidin-4-amine?
8-fluoropyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 164.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoropyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 131699662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).