4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine

C13H14FN3O — CID 67256517

IUPAC4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc([C@@H](C)Oc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-9(12-6-7-16-13(15-2)17-12)18-11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H,15,16,17)/t9-/m1/s1
InChIKeyROEGYAPUJFAAPT-SECBINFHSA-N
MW247.27 g/mol
LogP2.80
Rot. Bonds4

About 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine

4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine (PubChem CID 67256517) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine
PubChem CID67256517
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc([C@@H](C)Oc2cccc(F)c2)n1
InChIInChI=1S/C13H14FN3O/c1-9(12-6-7-16-13(15-2)17-12)18-11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H,15,16,17)/t9-/m1/s1
InChIKeyROEGYAPUJFAAPT-SECBINFHSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine (CID 67256517) is 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine is CNc1nccc([C@@H](C)Oc2cccc(F)c2)n1.
What is the InChIKey of 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine?
The InChIKey is ROEGYAPUJFAAPT-SECBINFHSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-9(12-6-7-16-13(15-2)17-12)18-11-5-3-4-10(14)8-11/h3-9H,1-2H3,(H,15,16,17)/t9-/m1/s1.
What are the key properties of 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine?
4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(3-fluorophenoxy)ethyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 67256517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).