5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine

C13H15N3O2 — CID 80863933

IUPAC5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1cccc(OC)c1
InChIInChI=1S/C13H15N3O2/c1-3-11-12(14)15-8-16-13(11)18-10-6-4-5-9(7-10)17-2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyLDYSJFUVIXBXDJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.42
Rot. Bonds4

About 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine

5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine (PubChem CID 80863933) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
PubChem CID80863933
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
SMILESCCc1c(N)ncnc1Oc1cccc(OC)c1
InChIInChI=1S/C13H15N3O2/c1-3-11-12(14)15-8-16-13(11)18-10-6-4-5-9(7-10)17-2/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyLDYSJFUVIXBXDJ-UHFFFAOYSA-N
XLogP2.42
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872602
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
CID 80876347
5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202408
5-ethyl-6-quinolin-3-yloxypyrimidin-4-amine
CID 107388395
6-(2-bromo-4-methoxyphenoxy)-5-propylpyrimidin-4-amine
CID 104708785
5-ethyl-6-[4-fluoro-3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 102747880
2-[4-(6-amino-5-ethylpyrimidin-4-yl)oxyphenyl]ethanol
CID 107710167
6-(5-chloro-2-methylphenoxy)-5-ethylpyrimidin-4-amine
CID 80878189
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745155
[6-(3-bromophenoxy)-5-ethylpyrimidin-4-yl]hydrazine
CID 80915780
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine (CID 80863933) is 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine is CCc1c(N)ncnc1Oc1cccc(OC)c1.
What is the InChIKey of 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine?
The InChIKey is LDYSJFUVIXBXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-11-12(14)15-8-16-13(11)18-10-6-4-5-9(7-10)17-2/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine?
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine has a molecular weight of 245.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80863933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).