4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine

C11H10FN3O — CID 107655411

IUPAC4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine
SMILESCc1cccc(Oc2ncncc2N)c1F
InChIInChI=1S/C11H10FN3O/c1-7-3-2-4-9(10(7)12)16-11-8(13)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyBQPBUJVZUMEFNO-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.30
Rot. Bonds2

About 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine

4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine (PubChem CID 107655411) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine
PubChem CID107655411
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine
SMILESCc1cccc(Oc2ncncc2N)c1F
InChIInChI=1S/C11H10FN3O/c1-7-3-2-4-9(10(7)12)16-11-8(13)5-14-6-15-11/h2-6H,13H2,1H3
InChIKeyBQPBUJVZUMEFNO-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 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine (CID 107655411) is 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine is Cc1cccc(Oc2ncncc2N)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine?
The InChIKey is BQPBUJVZUMEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-3-2-4-9(10(7)12)16-11-8(13)5-14-6-15-11/h2-6H,13H2,1H3.
What are the key properties of 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine?
4-(2-fluoro-3-methylphenoxy)pyrimidin-5-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 4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 107655411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).