6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine

C15H19N3O2 — CID 80876347

IUPAC6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cccc(COC)c1
InChIInChI=1S/C15H19N3O2/c1-3-5-13-14(16)17-10-18-15(13)20-12-7-4-6-11(8-12)9-19-2/h4,6-8,10H,3,5,9H2,1-2H3,(H2,16,17,18)
InChIKeyIUXVWEHJZKQFCP-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.95
Rot. Bonds6

About 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine

6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine (PubChem CID 80876347) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
PubChem CID80876347
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine
SMILESCCCc1c(N)ncnc1Oc1cccc(COC)c1
InChIInChI=1S/C15H19N3O2/c1-3-5-13-14(16)17-10-18-15(13)20-12-7-4-6-11(8-12)9-19-2/h4,6-8,10H,3,5,9H2,1-2H3,(H2,16,17,18)
InChIKeyIUXVWEHJZKQFCP-UHFFFAOYSA-N
XLogP2.95
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.95
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-nitropyrimidin-4-amine
CID 80876502
5-propyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880474
5-ethyl-6-[3-(methoxymethyl)phenoxy]-N-methylpyrimidin-4-amine
CID 80876118
5-ethyl-6-(3-methoxyphenoxy)pyrimidin-4-amine
CID 80863933
6-(4-bromophenoxy)-5-propylpyrimidin-4-amine
CID 80864434
5-propyl-6-quinolin-7-yloxypyrimidin-4-amine
CID 107315866
5-bromo-4-chloro-6-[3-(methoxymethyl)phenoxy]pyrimidine
CID 114071639
6-(2,3-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80864705
6-(4-bromo-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 107727376
3-[3-(methoxymethyl)phenoxy]quinoxalin-2-amine
CID 102988229
6-(4-chloro-3,5-dimethylphenoxy)-5-propylpyrimidin-4-amine
CID 80874729

Frequently Asked Questions

What is the IUPAC name of 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine?
The IUPAC name of 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine (CID 80876347) is 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine is CCCc1c(N)ncnc1Oc1cccc(COC)c1.
What is the InChIKey of 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine?
The InChIKey is IUXVWEHJZKQFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-5-13-14(16)17-10-18-15(13)20-12-7-4-6-11(8-12)9-19-2/h4,6-8,10H,3,5,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine?
6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(methoxymethyl)phenoxy]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 80876347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).