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

C13H8F2N4O — CID 90054645

IUPAC6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(Oc3ccc(F)cc3F)nc12
InChIInChI=1S/C13H8F2N4O/c14-7-1-3-10(8(15)5-7)20-11-4-2-9-12(19-11)13(16)18-6-17-9/h1-6H,(H2,16,17,18)
InChIKeyDSXKIMODQBAXLT-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.68
Rot. Bonds2

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

6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 90054645) has the molecular formula C13H8F2N4O and a molecular weight of 274.23 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine
PubChem CID90054645
Molecular FormulaC13H8F2N4O
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine
SMILESNc1ncnc2ccc(Oc3ccc(F)cc3F)nc12
InChIInChI=1S/C13H8F2N4O/c14-7-1-3-10(8(15)5-7)20-11-4-2-9-12(19-11)13(16)18-6-17-9/h1-6H,(H2,16,17,18)
InChIKeyDSXKIMODQBAXLT-UHFFFAOYSA-N
XLogP2.68
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine (CID 90054645) is 6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine is Nc1ncnc2ccc(Oc3ccc(F)cc3F)nc12.
What is the InChIKey of 6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is DSXKIMODQBAXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O/c14-7-1-3-10(8(15)5-7)20-11-4-2-9-12(19-11)13(16)18-6-17-9/h1-6H,(H2,16,17,18).
What are the key properties of 6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine?
6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 274.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 90054645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).