6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine

C12H13N3O2 — CID 80870116

IUPAC6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
SMILESCOc1ccc(Oc2ncnc(N)c2C)cc1
InChIInChI=1S/C12H13N3O2/c1-8-11(13)14-7-15-12(8)17-10-5-3-9(16-2)4-6-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyFUDGHJJZABMREI-UHFFFAOYSA-N
MW231.26 g/mol
LogP2.17
Rot. Bonds3

About 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine

6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine (PubChem CID 80870116) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
PubChem CID80870116
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
SMILESCOc1ccc(Oc2ncnc(N)c2C)cc1
InChIInChI=1S/C12H13N3O2/c1-8-11(13)14-7-15-12(8)17-10-5-3-9(16-2)4-6-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyFUDGHJJZABMREI-UHFFFAOYSA-N
XLogP2.17
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879504
6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80866188
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
5-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 82284670
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(2,3-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80863928
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80864729
methyl 4-(5,6-diaminopyrimidin-4-yl)oxybenzoate
CID 22544690

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine (CID 80870116) is 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine is COc1ccc(Oc2ncnc(N)c2C)cc1.
What is the InChIKey of 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
The InChIKey is FUDGHJJZABMREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-11(13)14-7-15-12(8)17-10-5-3-9(16-2)4-6-10/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine?
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine has a molecular weight of 231.26 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80870116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).