4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine

C14H15FN4O — CID 83289055

IUPAC4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(Oc2ccccc2F)ncnc1N1CCCC1
InChIInChI=1S/C14H15FN4O/c15-10-5-1-2-6-11(10)20-14-12(16)13(17-9-18-14)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyWCVCHAXFSIQPFE-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.59
Rot. Bonds3

About 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine

4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine (PubChem CID 83289055) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
PubChem CID83289055
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
SMILESNc1c(Oc2ccccc2F)ncnc1N1CCCC1
InChIInChI=1S/C14H15FN4O/c15-10-5-1-2-6-11(10)20-14-12(16)13(17-9-18-14)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyWCVCHAXFSIQPFE-UHFFFAOYSA-N
XLogP2.59
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The IUPAC name of 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine (CID 83289055) is 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The canonical SMILES for 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine is Nc1c(Oc2ccccc2F)ncnc1N1CCCC1.
What is the InChIKey of 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine?
The InChIKey is WCVCHAXFSIQPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-10-5-1-2-6-11(10)20-14-12(16)13(17-9-18-14)19-7-3-4-8-19/h1-2,5-6,9H,3-4,7-8,16H2.
What are the key properties of 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine?
4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine has a molecular weight of 274.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine is sourced from PubChem (CID 83289055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).