4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine

C13H15N3O — CID 80875950

IUPAC4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine
SMILESCCc1ccccc1Oc1nc(N)ncc1C
InChIInChI=1S/C13H15N3O/c1-3-10-6-4-5-7-11(10)17-12-9(2)8-15-13(14)16-12/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyAQHZAQGEYHHUJM-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.72
Rot. Bonds3

About 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine

4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine (PubChem CID 80875950) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine
PubChem CID80875950
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine
SMILESCCc1ccccc1Oc1nc(N)ncc1C
InChIInChI=1S/C13H15N3O/c1-3-10-6-4-5-7-11(10)17-12-9(2)8-15-13(14)16-12/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyAQHZAQGEYHHUJM-UHFFFAOYSA-N
XLogP2.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethylphenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80917094
4-(1-bromonaphthalen-2-yl)oxy-5-methylpyrimidin-2-amine
CID 80866110
4-(2-ethylphenoxy)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332009
4-[(2-bromophenyl)methoxy]-5-methylpyrimidin-2-amine
CID 82825383
5-(2-ethylphenoxy)pyrazin-2-amine
CID 80663708
5-chloro-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869691
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
5-methyl-4-propoxypyrimidin-2-amine
CID 80864998
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881028
6-(2-ethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989252
5-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80875224

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine (CID 80875950) is 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine is CCc1ccccc1Oc1nc(N)ncc1C.
What is the InChIKey of 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine?
The InChIKey is AQHZAQGEYHHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-6-4-5-7-11(10)17-12-9(2)8-15-13(14)16-12/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine?
4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenoxy)-5-methylpyrimidin-2-amine is sourced from PubChem (CID 80875950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).