5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine

C19H18FN5O — CID 90310686

IUPAC5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine
SMILESNc1cc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)cnc1N
InChIInChI=1S/C19H18FN5O/c20-16-13(12-9-15(21)18(22)25-10-12)5-6-14(11-3-1-4-11)17(16)26-19-23-7-2-8-24-19/h2,5-11H,1,3-4,21H2,(H2,22,25)
InChIKeyJRHJOAJBMQSIDI-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.90
Rot. Bonds4

About 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine

5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine (PubChem CID 90310686) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine
PubChem CID90310686
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine
SMILESNc1cc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)cnc1N
InChIInChI=1S/C19H18FN5O/c20-16-13(12-9-15(21)18(22)25-10-12)5-6-14(11-3-1-4-11)17(16)26-19-23-7-2-8-24-19/h2,5-11H,1,3-4,21H2,(H2,22,25)
InChIKeyJRHJOAJBMQSIDI-UHFFFAOYSA-N
XLogP3.90
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine?
The IUPAC name of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine (CID 90310686) is 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine is Nc1cc(-c2ccc(C3CCC3)c(Oc3ncccn3)c2F)cnc1N.
What is the InChIKey of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine?
The InChIKey is JRHJOAJBMQSIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-16-13(12-9-15(21)18(22)25-10-12)5-6-14(11-3-1-4-11)17(16)26-19-23-7-2-8-24-19/h2,5-11H,1,3-4,21H2,(H2,22,25).
What are the key properties of 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine?
5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine has a molecular weight of 351.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclobutyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 90310686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).