2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine

C11H10FN3O — CID 116797983

IUPAC2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine
SMILESCc1cc(Oc2nccc(N)n2)ccc1F
InChIInChI=1S/C11H10FN3O/c1-7-6-8(2-3-9(7)12)16-11-14-5-4-10(13)15-11/h2-6H,1H3,(H2,13,14,15)
InChIKeyUJVQFSNQDZZPPB-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.30
Rot. Bonds2

About 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine

2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine (PubChem CID 116797983) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine
PubChem CID116797983
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine
SMILESCc1cc(Oc2nccc(N)n2)ccc1F
InChIInChI=1S/C11H10FN3O/c1-7-6-8(2-3-9(7)12)16-11-14-5-4-10(13)15-11/h2-6H,1H3,(H2,13,14,15)
InChIKeyUJVQFSNQDZZPPB-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 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine?
The IUPAC name of 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine (CID 116797983) is 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine is Cc1cc(Oc2nccc(N)n2)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine?
The InChIKey is UJVQFSNQDZZPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-6-8(2-3-9(7)12)16-11-14-5-4-10(13)15-11/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine?
2-(4-fluoro-3-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 2-(4-fluoro-3-methylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 116797983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).