[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine

C13H14FN3O — CID 83196772

IUPAC[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1cc(F)ccc1Oc1ncc(CN)c(C)n1
InChIInChI=1S/C13H14FN3O/c1-8-5-11(14)3-4-12(8)18-13-16-7-10(6-15)9(2)17-13/h3-5,7H,6,15H2,1-2H3
InChIKeyBUIUNACRAQXYMG-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.48
Rot. Bonds3

About [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine

[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine (PubChem CID 83196772) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
PubChem CID83196772
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
SMILESCc1cc(F)ccc1Oc1ncc(CN)c(C)n1
InChIInChI=1S/C13H14FN3O/c1-8-5-11(14)3-4-12(8)18-13-16-7-10(6-15)9(2)17-13/h3-5,7H,6,15H2,1-2H3
InChIKeyBUIUNACRAQXYMG-UHFFFAOYSA-N
XLogP2.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,5-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188778
[2-(2,3-difluorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189525
[2-(2-bromo-4-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83188696
[2-(4-fluoro-3-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83196037
(4-methyl-2-quinolin-8-yloxypyrimidin-5-yl)methanamine
CID 83188918
[2-(4-bromo-2-chlorophenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189144
[2-(2,6-dimethoxyphenoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189366
2-(4-fluoro-2-methylphenoxy)pyrimidin-4-amine
CID 116797992
N-[[2-(2-bromo-4-fluorophenoxy)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 83186680
[4-methyl-2-[4-(trifluoromethyl)phenoxy]pyrimidin-5-yl]methanamine
CID 83189114
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[4-(2,4-difluorophenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81254597

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine?
The IUPAC name of [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine (CID 83196772) is [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine.
What is the SMILES notation for [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine?
The canonical SMILES for [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine is Cc1cc(F)ccc1Oc1ncc(CN)c(C)n1.
What is the InChIKey of [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine?
The InChIKey is BUIUNACRAQXYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-5-11(14)3-4-12(8)18-13-16-7-10(6-15)9(2)17-13/h3-5,7H,6,15H2,1-2H3.
What are the key properties of [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine?
[2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine has a molecular weight of 247.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methanamine is sourced from PubChem (CID 83196772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).