4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine

C19H19N3O3 — CID 22540861

IUPAC4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccc(Oc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1
InChIInChI=1S/C19H19N3O3/c1-12-8-13(2)10-16(9-12)25-19-17(20)18(21-11-22-19)24-15-6-4-14(23-3)5-7-15/h4-11H,20H2,1-3H3
InChIKeyRQGXBGVMRZCPFA-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.27
Rot. Bonds5

About 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine

4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine (PubChem CID 22540861) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
PubChem CID22540861
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccc(Oc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1
InChIInChI=1S/C19H19N3O3/c1-12-8-13(2)10-16(9-12)25-19-17(20)18(21-11-22-19)24-15-6-4-14(23-3)5-7-15/h4-11H,20H2,1-3H3
InChIKeyRQGXBGVMRZCPFA-UHFFFAOYSA-N
XLogP4.27
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methoxyphenoxy)-4-N-(3-methylphenyl)pyrimidine-4,5-diamine
CID 19148333
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870116
4-N-(3,4-dimethylphenyl)-6-(4-methoxyphenoxy)pyrimidine-4,5-diamine
CID 22546336
6-(4-bromophenoxy)-4-N-(4-methoxyphenyl)pyrimidine-4,5-diamine
CID 19149185
6-(3,5-dimethylphenoxy)-4-N-(2,4-dimethylphenyl)pyrimidine-4,5-diamine
CID 22540722
4-(azepan-1-yl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540689
4-(4-methoxyphenoxy)-6-phenylsulfanylpyrimidin-5-amine
CID 19149780
4-(2-tert-butylhydrazinyl)-6-(3,5-dimethylphenoxy)pyrimidin-5-amine
CID 22540813
6-(4-methoxyphenoxy)-4-N,4-N-bis(2-methylpropyl)pyrimidine-4,5-diamine
CID 19141072
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
dimethyl 5-[[5-amino-6-(4-methoxyphenoxy)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547756

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine (CID 22540861) is 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine is COc1ccc(Oc2ncnc(Oc3cc(C)cc(C)c3)c2N)cc1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine?
The InChIKey is RQGXBGVMRZCPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-8-13(2)10-16(9-12)25-19-17(20)18(21-11-22-19)24-15-6-4-14(23-3)5-7-15/h4-11H,20H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine?
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine has a molecular weight of 337.38 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 22540861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).