5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine

C11H10FN3O — CID 71273155

IUPAC5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine
SMILESCc1ccccc1Oc1ncc(F)c(N)n1
InChIInChI=1S/C11H10FN3O/c1-7-4-2-3-5-9(7)16-11-14-6-8(12)10(13)15-11/h2-6H,1H3,(H2,13,14,15)
InChIKeyIGKGOVJWZXHQRE-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.30
Rot. Bonds2

About 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine

5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine (PubChem CID 71273155) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine
PubChem CID71273155
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine
SMILESCc1ccccc1Oc1ncc(F)c(N)n1
InChIInChI=1S/C11H10FN3O/c1-7-4-2-3-5-9(7)16-11-14-6-8(12)10(13)15-11/h2-6H,1H3,(H2,13,14,15)
InChIKeyIGKGOVJWZXHQRE-UHFFFAOYSA-N
XLogP2.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine (CID 71273155) is 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine is Cc1ccccc1Oc1ncc(F)c(N)n1.
What is the InChIKey of 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine?
The InChIKey is IGKGOVJWZXHQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-4-2-3-5-9(7)16-11-14-6-8(12)10(13)15-11/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine?
5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine has a molecular weight of 219.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 71273155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).