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

C11H10FN3O — CID 107168482

IUPAC2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncc(N)cn2)cc1F
InChIInChI=1S/C11H10FN3O/c1-7-2-3-9(4-10(7)12)16-11-14-5-8(13)6-15-11/h2-6H,13H2,1H3
InChIKeyKMBYKXFDGPOOIE-UHFFFAOYSA-N
MW219.22 g/mol
LogP2.30
Rot. Bonds2

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

2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine (PubChem CID 107168482) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
PubChem CID107168482
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncc(N)cn2)cc1F
InChIInChI=1S/C11H10FN3O/c1-7-2-3-9(4-10(7)12)16-11-14-5-8(13)6-15-11/h2-6H,13H2,1H3
InChIKeyKMBYKXFDGPOOIE-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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Related Compounds

2-(3,4-difluorophenoxy)pyrimidin-5-amine
CID 82234847
2-(3-chloro-4-fluorophenoxy)pyrimidin-5-amine
CID 63879150
5-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107171750
2-(3-fluoro-4-methylphenoxy)-5-methylpyridin-4-amine
CID 107168502
2-(4-fluoro-3-methylphenoxy)-5-iodopyrimidine
CID 104844164
2-(3-fluoro-4-methylphenoxy)pyridin-3-amine
CID 107168496
6-(4-bromo-3-fluorophenoxy)-5-methylpyridin-3-amine
CID 65203527
3-bromo-4-(3-fluoro-4-methylphenoxy)aniline
CID 107168516
4-(5-methylpyrimidin-2-yl)oxyaniline
CID 63208137
2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine
CID 107171716
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
2-(3-ethoxyphenoxy)pyrimidin-5-amine
CID 55060800

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine?
The IUPAC name of 2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine (CID 107168482) is 2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine is Cc1ccc(Oc2ncc(N)cn2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine?
The InChIKey is KMBYKXFDGPOOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-7-2-3-9(4-10(7)12)16-11-14-5-8(13)6-15-11/h2-6H,13H2,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine?
2-(3-fluoro-4-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 2-(3-fluoro-4-methylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 107168482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).