2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine

C14H14FN3O — CID 80988620

IUPAC2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Oc1cccc(F)c1
InChIInChI=1S/C14H14FN3O/c1-8-12(16)17-13(9-5-6-9)18-14(8)19-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6H2,1H3,(H2,16,17,18)
InChIKeyARSQOYJOXJEIPU-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.18
Rot. Bonds3

About 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine

2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80988620) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
PubChem CID80988620
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine
SMILESCc1c(N)nc(C2CC2)nc1Oc1cccc(F)c1
InChIInChI=1S/C14H14FN3O/c1-8-12(16)17-13(9-5-6-9)18-14(8)19-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6H2,1H3,(H2,16,17,18)
InChIKeyARSQOYJOXJEIPU-UHFFFAOYSA-N
XLogP3.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine (CID 80988620) is 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine is Cc1c(N)nc(C2CC2)nc1Oc1cccc(F)c1.
What is the InChIKey of 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is ARSQOYJOXJEIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c1-8-12(16)17-13(9-5-6-9)18-14(8)19-11-4-2-3-10(15)7-11/h2-4,7,9H,5-6H2,1H3,(H2,16,17,18).
What are the key properties of 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine?
2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 259.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3-fluorophenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80988620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).